福莫特罗

福莫特罗 基本信息
CAS号 73573-87-2 分子式 C19H24N2O4
分子量 344.40500 精确质量  344.17400
PSA  90.82000 LogP  3.32310

基本信息 展开↓

CAS号:
73573-87-2
3D弹球模型:
立即前往扯扯看
分子式:
C19H24N2O4
分子量:
344.40500
中文名称:
福莫特罗
英文名称:
N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide
中文别名:
福莫特罗;
福莫特洛;
福美特罗;
N-[2-羟基-5-[1-羟基-2-[1-(4-甲氧基苯基)丙-2-基氨基]乙基]苯基]甲酰胺
英文别名:
N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide;
E-3-octen-2-ol;
rac-(E)-3-octen-2-ol;
3-Acetoxycycloheptene;
(E)-2-hydroxy-3-octene;
2-Cycloheptenylacetate;
N-[2-Hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide;
trans-3-octen-2-ol;
rac-(N-[2-hydroxy-5-[(1RS)-1-hydroxy-2-[[(1RS)-2-(4-methoxyphenyl)-1-methylethyl]-amino]ethyl]phenyl]formamide);
rac-cyclohept-2-en-1-yl acetate;
cyclohept-2-enyl acetate;
rac-(E)-3-acetoxycycloheptene;
N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-phenyl]methanamide;
(E)-oct-3-en-2-ol;
2-Cyclohepten-1-ol,1-acetate;
2-Cyclohepten-1-ol,acetate (6CI,7CI,8CI,9CI);
(+/-)-2-hydroxy-5-[(1RS)-1-hydroxy-2-[[(1RS)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]formanilide;
N-[2-hydroxy-5-[(1RS)-1-hydroxy-2-[[(1RS)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-formamide;
(?A'A A'A currency)-3-Acetoxycycloheptene;
rac-3-acetoxycycloheptene;
2-Cyclohepten-1-yl acetate
精确分子量/精确质量:
344.17400
极性分子表面积/PSA:
90.82000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD11045919
PubChem:
24278448
InChI:
InChI=1/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)

生产制备方法及用途展开↓

制备方法


间硝基对羟基苯甲酸甲酯和苄基氯反应,得到的化合物溶于氯仿,滴入溴反应,反应物进行重结晶处理,得到的化合物和N-苄基-1-对甲氧基苯基-2-丙胺在甲乙酮中回流,过滤除去沉淀,滤液减压浓缩,得到的物质用乙醇重结晶,得到的化合物再和硼氢化钠在乙醇中反应,减压蒸去溶剂,剩余液用苯提取。经水洗、干燥得到的产物和盐酸、甲醇混合,在搅拌下加入铁粉反应,过滤除去黑色的沉淀,滤液经进一步处理,得到的化合物在氯仿中,并加入甲酸-乙酸酐混合液,搅拌反应。得到的物质和异丙醇(或乙醇)、钯碳催化剂一起,反应完毕,经过滤、浓缩,得到福莫特罗粗品。粗品经处理转化为结晶性富马酸盐。

合成制备方法


间硝基对羟基苯甲酸甲酯和苄基氯反应,得到的化合物溶于氯仿,滴入溴反应,反应物进行重结晶处理,得到的化合物和N-苄基-1-对甲氧基苯基-2-丙胺在甲乙酮中回流,过滤除去沉淀,滤液减压浓缩,得到的物质用乙醇重结晶,得到的化合物再和硼氢化钠在乙醇中反应,减压蒸去溶剂,剩余液用苯提取。经水洗、干燥得到的产物和盐酸、甲醇混合,在搅拌下加入铁粉反应,过滤除去黑色的沉淀,滤液经进一步处理,得到的化合物在氯仿中,并加入甲酸-乙酸酐混合液,搅拌反应。得到的物质和异丙醇(或乙醇)、钯碳催化剂一起,反应完毕,经过滤、浓缩,得到福莫特罗粗品。粗品经处理转化为结晶性富马酸盐。

用途简介


选择性β2-受体兴奋剂,有强支气管扩张作用,还有抗过敏和抑制水肿的作用。用于缓解由支气管哮喘, 急、慢性支气管炎,喘息性支气管炎及肺气肿所引起的呼吸困难等多种症状。

用途


选择性β2-受体兴奋剂,有强支气管扩张作用,还有抗过敏和抑制水肿的作用。用于缓解由支气管哮喘,
急、慢性支气管炎,喘息性支气管炎及肺气肿所引起的呼吸困难等多种症状。

物化性质展开↓

外观与性状:
灰白色固体
密度:
1.233 g/cm3
沸点:
603.2ºCat 760 mmHg
闪点:
318.6ºC
折射率:
1.616
其它信息:

1.性状:结晶

2.熔点(ºC):138~140

安全信息展开↓

海关代码:
2924299090

毒理性展开↓

毒理学数据:

LD50雄、雌小鼠,雄、雌大鼠(mg/kg):6700,8310,3130,5580经口;72,71,98,100静脉注射,240,210,170,210腹膜内注射;640,670,1000,1100皮下注射。

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Formoterol
    Common Name/
    Trade Name
    Formoterol

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at    
    least 15 minutes. Get medical attention if irritation occurs.
    Skin Contact        Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.    
    Serious Skin Contact        Not available.    
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Serious Inhalation        Not available.    
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an    
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    Products of Combustion        These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).    
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    Slightly explosive in presence of open flames and sparks.
    of Various Substances
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    As with most organic solids, fire is possible at elevated temperatures
    Special Remarks on
    Fire Hazards
    Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
    Hazards        explosion hazard.    

Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by    
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water    
    on the contaminated surface and allow to evacuate through the sanitary system.
    Formoterol

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not    
    breathe dust. Keep away from incompatibles such as oxidizing agents.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area.    

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection
    Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
    a Large Spill        to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Solid. (Powdered solid.)        Odor        Not available.    
    Taste        Not available.    
    Molecular Weight        344.41 g/mole    
    Color        White to yellowish.    
    pH (1% soln/water)        Not applicable.    
    Boiling Point        Not available.    
    Melting Point        Not available.    
    Critical Temperature        Not available.    
    Not available.
    Specific Gravity
    Vapor Pressure        Not applicable.    
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Not available.
    Water/Oil Dist. Coeff.
    Ionicity (in Water)        Not available.    
    Not available.
    Dispersion Properties
    Solubility        Insoluble in cold water.    
    Soluble in Dimethyl Sulfoxide (DMSO). The solubility in DMSO is 20 mg/ml

Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Instability Temperature        Not available.    
    Conditions of Instability        Not available.    
    Incompatibility with various        Reactive with oxidizing agents.    
    substances
    Corrosivity        Not available.    
    Formoterol
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans May cause damage to the following organs: cardiovascular system, upper respiratory tract.
    Other Toxic Effects on
    Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: May cause eye irritation.
    Inhalation: May cause respiratory tract irritation, dry mouth, nausea. May affect cardiovascular system(angina,
    arrhythmias, hypertension, hypotension, palpitations, tachydcardia), respiration (may lead to paradoxical
    bronchospasm). It may also affect behavior/central nervous system (dizziness, fatigue, headache, tremors,
    insomnia, malaise, nervousness), metabolism (hyperglycemia, metabolic acidosis. May cause allergic reaction
    (anaphylaxis)
    Ingestion: May cause dry mouth, nausea. It is expected to be a low hazard during usual industrial handling.
    Chronic Potential Health Effects:
    Inhalation: Prolonged or repeated overexposure by inhalation may affect respiration (bronchiolar dilation,
    paradoxical bronchospasm), cardiovascular system (increased pulse rate and other symptoms similar to acute
    inhalation). It may cause allergic reaction (anaphylaxis).
    Medical Conditions Aggravated by Exposure: Hypersensitivity to material, acute attack of asthma, cardiovascular
    disease (including agina, hypertension), Diabetes, Glaucoma, Hyperthyroidism, Pheochromocytoma.

Section 12. Ecological Information
    Not available.
    Ecotoxicity
    BOD5 and COD        Not available.    
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may    
    arise.
    The product itself and its products of degradation are not toxic.
    Toxicity of the Products
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental    
    control regulations.
    Formoterol

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Identification        Not applicable.    
    Not applicable.
    Special Provisions for
    Transport
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    No products were found.
    Federal and State
    Regulations
    California        California prop. 65: This product contains the following ingredients for which the State of California has found    
    to cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        Not available.    
    Other Classifications        WHMIS (Canada) Not controlled under WHMIS (Canada).    
    DSCL (EEC)        This product is not classified according Not applicable.    
    to the EU regulations.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Formoterol
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:97.63

2、  摩尔体积(cm3/mol):279.1

3、  等张比容(90.2K):755.5

4、  表面张力(dyne/cm):53.6

5、  极化率(10-24cm3):38.70

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