N-Boc-(R)-3-甲酸哌啶

N-Boc-(R)-3-甲酸哌啶 基本信息
CAS号 163438-09-3 分子式 C11H19NO4
分子量 229.27300 精确质量 　229.13100
PSA 　66.84000 LogP 　1.65600
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
163438-09-3
3D弹球模型：
立即前往扯扯看
分子式：
C11H19NO4
分子量：
229.27300
中文名称：
N-Boc-(R)-3-甲酸哌啶
英文名称：
(R)-Boc-Nipecotic Acid
中文别名：
N-Boc-(R)-3-甲酸哌啶;
(R)-N-Boc-3-甲酸哌啶;
(R)-1-Boc-3-哌啶甲酸;
N-Boc-R-3-甲酸哌啶;
1-Boc-D-六氢烟碱酸
英文别名：
(R)-Boc-Nipecotic Acid;
(R)-1-Boc-nipecotic Acid;
N-Boc-R-3-carboxylic acid piperidine;
1-Boc-D-nipecotic acid;
(R)-Boc-Nip-OH;
(R)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid;
(R)-N-BOC-piperidine-3-carboxylic acid;
(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
精确分子量/精确质量：
229.13100
极性分子表面积/PSA：
66.84000
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：
MFCD00673775
PubChem：
24889266
BRN：
5539297
InChI：
InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1/t8-/m1/s1

生产制备方法及用途展开↓

制备方法

医药中间体。

用途简介

物化性质展开↓

外观与性状：
白色固体
密度：
1.164 g/cm3
沸点：
353.2ºC at 760 mmHg
闪点：
167.4ºC
蒸汽压：
6.15E-06mmHg at 25°C
存储条件/存储方法：

常温，密闭，避光

稳定性相关：

常温常压下稳定

避免强氧化剂

其它信息：

1.       性状：白色粉末

2.       密度（g/mL,25℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,0.11hPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（mmHg,25ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：未确定

安全信息展开↓

海关代码：
2933399090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S26-S36
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
危险标志：
Xi:Irritant;

合成路线查看所有的合成路线

  • 24424-99-5

    二碳酸二叔丁酯

  • +

  • 498-95-3

    3-哌啶甲酸

  • →

    ~97%

  • 163438-09-3

    N-Boc-(R)-3-甲酸哌啶

  • 24424-99-5

    二碳酸二叔丁酯

  • →

    ~94%

  • 163438-09-3

    N-Boc-(R)-3-甲酸哌啶

  • 86447-11-2

    1-Boc-1,2,5,6-四氢吡啶-3-羧酸

  • →

    ~93%

  • 163438-09-3

    N-Boc-(R)-3-甲酸哌啶

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
  (R)-1-Boc-piperidine-3-carboxylic acid
    Product Name:
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    Wear protective gloves/protective clothing/eye protection/face protection
    P280:
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P304+P340:        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing    
    P405:        Store locked up    
Section 3. Composition/information on ingredients.
    (R)-1-Boc-piperidine-3-carboxylic acid
    Ingredient name:
    CAS number:        163438-09-3    
Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
    Ingestion:
Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels.    
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Not specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C11H19NO4    
    Molecular weight:        229.3    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    Non-harzardous for air and ground transportation.
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2933399090

概述：
2933399090. 其他结构含非稠合吡啶环的化合物. 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:20.0%
申报要素：
品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:1.1

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积66.8

7.重原子数量:16

8.表面电荷:0

9.复杂度:282

10.同位素原子数量:0

11.确定原子立构中心数量:1

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多

  • 24424-99-5

    二碳酸二叔丁酯

  • 498-95-3

    3-哌啶甲酸

  • 86447-11-2

    1-Boc-1,2,5,6-四氢吡啶-3-羧酸

  • 194726-40-4

    (R)-1-Boc-3-哌啶甲酸乙酯

  • 300-08-3

    氢溴酸槟榔碱

下游产品

更多

  • 891494-63-6

    肌苷

  • 1234709-86-4

    (S)-2-(N-BOC-哌啶-3-基)-1H-苯并咪唑

  • 1013937-63-7

    N-[2-[(R)-(3-氯苯基)[(3R)-1-[[[(2S)-2-(甲基氨基)-3-[(3R)-四氢-2H-吡喃-3-基]丙基]氨基]羰基]-3-哌啶基]甲氧基]乙基]氨基甲酸甲酯，2,2,2-三氟乙酸盐

  • 884510-86-5

    (3R)-3-[(甲氧基甲基氨基)羰基]-1-哌啶羧酸 1,1-二甲基乙酯

  • 934423-10-6

    (R)-N-Boc-哌啶-3-羧酸甲酯

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP