4-氨基哌啶-3-甲醇 | 138116-34-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-氨基哌啶-3-甲醇
• 中文别名: 4-氨基吡啶-3-甲醇；4-氨基-3-吡啶甲醇
• 英文名称: 4-amino-3-hydroxymethylpyridine
• 英文别名: (4-aminopyridin-3-yl)methanol；4-amino-pyridin-3-yl-methanol；4-aminopyridine-3-methanol；4-AP-MeOH
• CAS: 138116-34-4
• 化学式: C₆H₈N₂O
• 分子量: 124.142
• InChiKey: WNBVEYMTVDMSFZ-UHFFFAOYSA-N

物化性质

• 熔点：
  167-169℃
• 沸点：
  367.2±27.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险反应。应避免与氧化物和空气接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.1
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险等级：
  6.1
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39,S37,S45
• 危险类别码：
  R28,R36/37/38
• WGK Germany：
  3
• 海关编码：
  2933399090
• 危险品运输编号：
  UN 2811 6.1 / PGII
• RTECS号：
  US1750000
• 危险类别：
  IRRITANT
• 危险标志：
  GHS06
• 危险性描述：
  H300,H315,H319,H335
• 危险性防范说明：
  P261,P264,P301 + P310,P305 + P351 + P338
• 包装等级：
  II

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
(4-Amino-pyridin-3-yl)-methanol
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H300: Fatal if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P264: Wash thoroughly after handling
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
(4-Amino-pyridin-3-yl)-methanol
Ingredient name:
CAS number: 138116-34-4

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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:

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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.

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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.

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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, refrigerated.

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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.

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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: C6H8N2O
Molecular weight: 124.1

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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.

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Section 12. Ecological information
No data.

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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.

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Section 14. Transportation information
UN Number: UN2811 Class: 6.1 Packing group: II
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. ((4-Amino-pyridin-3-yl)-methanol)

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氨基哌啶-3-甲醇 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 4-氨基-3-吡啶甲醛
  参考文献：
  名称：

  醇，胺和异氰酸酯的Ugi三组分反应：合成环am的新方法

  摘要：

  我们已经开发出一种新颖，简单，有效和一锅的合成方案，用于通过Ugi醇，胺和异氰酸酯的三组分反应合成环状am。

  DOI：

  10.1016/j.tetlet.2017.02.021
• 作为产物：
  描述：

  4-硝基烟酸-N-氧化物 在 palladium on activated charcoal lithium aluminium tetrahydride 、 硫酸 、 氢气 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 30.0~60.0 ℃ 、303.98 kPa 条件下， 反应 12.0h， 生成 4-氨基哌啶-3-甲醇
  参考文献：
  名称：

  Syntheses of Ortho-Hydroxymethylpyridinols and Dioxaphosphorino[m,n-x]pyridines

  摘要：

  Dioxaphosphorino [m,n-x]pyridines compounds have been prepared by condensation of methyl dichlorophosphate with new ortho-hydroxymethylpyridinols.

  DOI：

  10.1080/00397919608004536

文献信息

• [EN] SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES<br/>[FR] DÉRIVÉS AZA HÉTÉROCYCLIQUES SUBSTITUÉS
  申请人：GRUENENTHAL GMBH

  公开号：WO2013013817A1

  公开（公告）日：2013-01-31

  The invention relates to heterocyclic aza derivatives as vanilloid receptor ligands, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

  这项发明涉及杂环氮杂基衍生物作为辣椒素受体配体，含有这些化合物的药物组合物，以及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。
• Substituted Heterocyclic Aza Compounds
  申请人：FRANK Robert

  公开号：US20130029961A1

  公开（公告）日：2013-01-31

  Heterocyclic aza compounds as vanilloid receptor ligands, pharmaceutical compositions containing these compounds and also methods of using these compounds for the treatment and/or inhibition of pain and further diseases and/or disorders.

  杂环氮化合物作为辣椒素受体配体，含有这些化合物的药物组合物，以及使用这些化合物用于治疗和/或抑制疼痛以及其他疾病和/或疾病的方法。
• [EN] NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE<br/>[FR] NOUVEAUX COMPOSÉS ET CONJUGUÉS DE CRYPTOPHYCINE, LEUR PRÉPARATION ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：SANOFI SA

  公开号：WO2017076998A1

  公开（公告）日：2017-05-11

  The present invention relates to cryptophycin compounds of formula (I). The invention also relates to cryptophycin payloads, to cryptophycin conjugates, to compositions containing them and to their therapeutic use, especially as anticancer agents. The invention also relates to the process for preparing these conjugates.

  本发明涉及公式（I）的隐藻素化合物。该发明还涉及隐藻素有效载荷、隐藻素偶联物、含有它们的组合物及其治疗用途，尤其是作为抗癌剂。该发明还涉及制备这些偶联物的过程。
• HETARYLAMINONAPHTHYRIDINES
  申请人：Jonczyk Alfred

  公开号：US20120316166A1

  公开（公告）日：2012-12-13

  Novel hetarylaminonaphthyridine derivatives of formula (I) wherein X, R1, R2, R3, R4, W1, W2, W3, W5 and W6 have the meaning according to claim 1 , are inhibitors of ATP consuming proteins, and can be employed, inter alia, for the treatment of tumors.

  新型hetarylaminonaphthyridine衍生物的化学式(I)，其中X、R1、R2、R3、R4、W1、W2、W3、W5和W6的含义根据权利要求，是ATP消耗蛋白的抑制剂，可用于治疗肿瘤等。
• 一种磺酰胺衍生物及其作为NAMPT抑制剂在抗肿瘤药物中的应用
  申请人：田立志

  公开号：CN107987060A

  公开（公告）日：2018-05-04

  本发明公开了一种磺酰胺衍生物式（Ⅰ），式（Ⅰ）为新结构，还公开了式（Ⅰ）的制备方法及其作为NAMPT抑制剂在抗肿瘤药物中的应用。在抑制NAMPT的活性实验和MTT法测定式（Ⅰ）对不同肿瘤细胞的抑制作用的实验中都表现出了很好的活性。式（Ⅰ）结构为，其中，R1选自COOH或CH2OH。