3-羟基-5-羟甲基-4-甲氧甲基-2-甲基吡啶

3-羟基-5-羟甲基-4-甲氧甲基-2-甲基吡啶 基本信息
CAS号 1464-33-1 分子式 C9H13NO3
分子量 183.20400 精确质量 　183.09000
PSA 　62.58000 LogP 　0.73430
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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 毒性 海关数据 上下游

基本信息 展开↓

CAS号：
1464-33-1
3D弹球模型：
立即前往扯扯看
分子式：
C9H13NO3
分子量：
183.20400
中文名称：
3-羟基-5-羟甲基-4-甲氧甲基-2-甲基吡啶
英文名称：
5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
中文别名：
3-羟基-5-羟甲基-4-甲氧甲基-2-甲基吡啶;
5-羟基-4-甲氧甲基-6-甲基-3-吡啶甲醇;
3-羟基-5-羟基甲基-4-甲氧基甲基-2-甲基吡啶
英文别名：
5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol;
3-Pyridinemethanol,5-hydroxy-4-(methoxymethyl)-6-methyl;
4-Methoxymethylpyridoxine;
3-HYDROXY-5-HYDROXYMETHYL-4-METHOXYMETHYL-2-METHYLPYRIDINE;
5-Hydroxy-4-(methoxymethyl)-6-methyl-3-pyridinemethanol;
4'-O-methyl pyridoxine;
5-hydroxymethyl-4-methoxymethyl-2-methyl-pyridin-3-ol;
Ginkgotoxin;
4-Methoxypyridoxine;
4'-O-methyl pyridoxime
精确分子量/精确质量：
183.09000
极性分子表面积/PSA：
62.58000
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。
InChI：
The Key: SVINQHQHARVZFF-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法

用甲氧基乙酰丙酮与氰乙酸乙酯在氢氧化铵参与下环合,生成5-氰基-6-羟基-4-甲氧甲基-2-甲基吡啶,然后硝化得5-氰基-6-羟基-4-甲氧甲基-2-甲基-3-硝基吡啶,氯化得6-氯-5-氰基-4-甲氧甲基-2-甲基-3-硝基吡啶,以钯碳催化氢化得3-氨基-5-氨甲基-4-甲氧甲基-2-甲基吡啶,最后氨基重氮化并水解制得该品。

用途简介

维生素B6的中间体。

物化性质展开↓

沸点：
404.2ºC at 760mmHg
闪点：
198.3ºC

安全信息展开↓

海关代码：
2933399090

合成路线查看所有的合成路线

  • 67-56-1

    甲醇

  • +

  • 65-23-6

    吡多素

  • →

    ~15%

  • 1464-33-1

    3-羟基-5-羟甲基-4-甲氧甲基-2-甲基吡啶

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT5009000
CHEMICAL NAME :
3-Pyridinemethanol, 5-hydroxy-4-(methoxymethyl)-6-methyl-
CAS REGISTRY NUMBER :
1464-33-1
BEILSTEIN REFERENCE NO. :
0150788
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C9-H13-N-O3
MOLECULAR WEIGHT :
183.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
540 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 4,179,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 4,179,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 4,179,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 4,179,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 4,179,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
9 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 4,179,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 4,179,1964

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%

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