6-氯-2-羟甲基吡啶 | 33674-97-4

• 物质功能分类: 医药中间体 - 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: 6-氯-2-羟甲基吡啶
• 中文别名: (6-氯-2-吡啶基)甲醇
• 英文名称: 6-chloro-2-pyridinemethanol
• 英文别名: (6-chloropyridin-2-yl)methanol；6-chloro-2-hydroxymethylpyridine；2-hydroxymethyl-6-chloro-pyridine
• CAS: 33674-97-4
• 化学式: C₆H₆ClNO
• 分子量: 143.573
• InChiKey: YKZFSISAODWSQG-UHFFFAOYSA-N

物化性质

• 沸点：
  251.8±25.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 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：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 危险品运输编号：
  UN 2811
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (6-Chloropyridin-2-yl)methanol
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: (6-Chloropyridin-2-yl)methanol
CAS number: 33674-97-4

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
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.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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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.
Store in closed vessels.
Storage:

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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
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H6ClNO
Molecular weight: 143.6

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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, hydrogen chloride.

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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
Non-harzardous for air and ground transportation.

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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：

  6-氯-2-羟甲基吡啶 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以68%的产率得到2-氯-6-氯甲基吡啶
  参考文献：
  名称：

  4-和6-氯-2-氯甲基吡啶的制备

  摘要：

  由6-氯-2-甲基吡啶通过将2-Me取代基依次转化成2-乙酰氧基甲基，2-羟甲基并最终转化成所需的2-氯甲基取代基的方法由6-氯-2-甲基吡啶制备6-氯-2-氯甲基吡啶。尝试同时用甲磺酰氯和对甲苯磺酰氯同时对Me基进行单氯化并降低6-氯-2-甲基吡啶-N-氧化物的N-氧化物功能，仅产生非常少的6-氯-2-氯甲基吡啶。通过硝化由2-甲基吡啶-N-氧化物制备4-氯-2-氯甲基吡啶，然后使用浓HCl将4-硝基取代为氯；使用p对2-Me组进行侧链氯化-甲苯磺酰氯产生4-氯-2-氯甲基吡啶。磷酰氯与2-氯甲基吡啶-N-氧化物盐酸盐反应，仅产生14.4％的4-氯-2-氯甲基吡啶，2-氯甲基吡啶（2.2％），2-二氯甲基吡啶（41.6％）和6-氯-2-氯甲基吡啶（41.8％）。尝试到N-氧化2-氯甲基吡啶与导致要么2-羟甲基过酸（过乙酸，米-氯和过甲酸）或无反应（过三氟乙酸）; 没有一种过酸会导致任何可检测到的N-氧化。

  DOI：

  10.1016/0040-4020(82)80106-3
• 作为产物：
  描述：

  6-氯吡啶-2-羧酸 在 sodium tetrahydroborate 、 乙醇 、 硫酸 作用下， 反应 41.0h， 生成 6-氯-2-羟甲基吡啶
  参考文献：
  名称：

  N-(吡啶甲基)四烷基铵盐的碱诱导 Sommelet-Hauser 重排

  摘要：

  研究了各种类型的N- (吡啶基甲基) 四烷基铵盐2的碱诱导 Sommelet-Hauser (S-H) 重排以产生N , N-二烷基-α-吡啶基氨基酸酯4。例如，在 -40 °C 下，在 THF中用 1.2 当量的叔丁醇钾处理N -(2-吡啶基甲基)甘氨酸叔丁酯衍生的四烷基铵盐2a ，得到相应的 S-H 产物，叔丁基 2 -(二甲氨基)-2-(2-甲基吡啶-3-基)乙酸酯( 4a)，产率为 93%。我们的方法是在简单温和的条件下对吡啶进行有效的 C-H 官能化。

  DOI：

  10.1016/j.tet.2022.132721
• 作为试剂：
  描述：

  2-乙酰氧基甲基-6-氯吡啶 、 碳酸氢钠 在 乙酸乙酯 、 magnesium sulfate 、 6-氯-2-羟甲基吡啶 作用下， 以 盐酸 为溶剂， 反应 1.5h， 生成 6-氯-2-羟甲基吡啶
  参考文献：
  名称：

  Indole carboxylate derivatives which inhibit leukotriene biosynthesis

  摘要：

  结构式为##STR1##的化合物，其中A是直链或分支的二价烷基或二价环烷基，R.sub.1选自氢；烷基硫；可选取取代的苯基硫；可选取取代的苯基烷基硫；可选取取代的2-，3-和4-吡啶基；可选取取代的2-和3-噻吩硫；以及可选取取代的2-噻唑硫，R.sub.2选自--COOB；--COO烷基；--COO烷基(环烷基芳基)；--CONR.sub.5 R.sub.6；--COR.sub.6；和--OH，R.sub.3选自苯基烷基和杂环烷基烷基，R.sub.4选自可选取取代的烷氧基(环烷基芳基)；可选取取代的环烷基氧基；可选取取代的杂环烷基烷氧基；以及可选取取代的杂环氧基，是脂氧合酶酶的有效抑制剂，从而抑制白三烯的生物合成。这些化合物在治疗或缓解过敏和炎症性疾病状态方面是有用的。

  公开号：

  US05288743A1

文献信息

• [EN] NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DÉRIVÉS DE THIÉNOPYRIMIDINE, PROCÉDÉ POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2015097123A1

  公开（公告）日：2015-07-02

  Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description.

  式（I）的化合物：其中R1、R2、R3、R4、R5、R6、R7、R12、X、A和n的定义如描述中所述。
• NAPHTHYRIDINES AS INHIBITORS OF HPK1
  申请人：Genentech, Inc.

  公开号：US20180282328A1

  公开（公告）日：2018-10-04

  Naphthyridine compounds and their use as inhibitors of HPK1 are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibiting HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the naphthyridine compounds.

  萘啶化合物及其作为HPK1抑制剂的用途被描述。这些化合物在治疗HPK1依赖性疾病和增强免疫反应方面很有用。还描述了抑制HPK1的方法、治疗HPK1依赖性疾病的方法、增强免疫反应的方法以及制备萘啶化合物的方法。
• [EN] HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS<br/>[FR] AGENTS ANTIFONGIQUES DÉRIVÉS DE PYRIDINE SUBSTITUÉS PAR UN HÉTÉROCYCLE
  申请人：AMPLYX PHARMACEUTICALS INC

  公开号：WO2019113542A1

  公开（公告）日：2019-06-13

  Described herein are heterocycle substituted pyridine derivative antifungal agents and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for the treatment of fungal diseases and infections.

  本文描述了杂环取代吡啶衍生物抗真菌药剂和包含该化合物的药物组合物。这些化合物和组合物对于治疗真菌病和感染是有用的。
• [EN] SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS<br/>[FR] PIPÉRAZINES SUBSTITUÉES EN TANT QU'ANTAGONISTES DE CB1
  申请人：SCHERING CORP

  公开号：WO2009005645A1

  公开（公告）日：2009-01-08

  Compounds of Formula (I) or pharmaceutically acceptable salts, solvates, or esters thereof, are useful in treating diseases or conditions mediated by CB1 receptors, such as metabolic syndrome and obesity, neuroinflammatory disorders, cognitive disorders and psychosis, addiction (e.g., smoking cessation), gastrointestinal disorders, and cardiovascular conditions.

  化合物式(I)或其药用可接受的盐、溶剂合物或酯，可用于治疗由CB1受体介导的疾病或症状，如代谢综合征和肥胖症、神经炎症性疾病、认知障碍和精神病、成瘾（例如戒烟）、胃肠道疾病和心血管疾病。
• NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20160168139A1

  公开（公告）日：2016-06-16

  There is provided a morpholine derivative represented by General Formula [1A] or a salt thereof. (In the formula, a ring A represents a ring represented by General Formula [I]; * represents a bonding position; Z 2 represents CH or the like; Z 1 represents CR 6 or the like; R 6 represents a hydrogen atom or the like; X 1 represents CHR 7 or the like; R 7 represents a hydrogen atom or the like; X 2 represents CH 2 or the like; R 1 and R 2 are the same as or different from each other, and each of R 1 and R 2 represents a hydrogen atom or the like; R 3 , R 4 , and R 5 are the same as or different from each other, and each of R 3 , R 4 , and R 5 represents a hydrogen atom, NR a R b , or the like; and each of R a and R b represents a hydrogen atom, a C 1-8 alkyl group which may have a substituent, or the like.)

  提供一种由通用式[1A]表示的吗啉衍生物或其盐。 （在该式中，环A代表由通用式[I]表示的环；*代表连接位置；Z 2 代表CH或类似物；Z 1 代表CR 6 或类似物；R 6 代表氢原子或类似物；X 1 代表CHR 7 或类似物；R 7 代表氢原子或类似物；X 2 代表CH 2 或类似物；R 1 和R 2 相同或不同，且R 1 和R 2 中的每一个代表氢原子或类似物；R 3 ，R 4 和R 5 相同或不同，且R 3 ，R 4 和R 5 中的每一个代表氢原子，NR a R b 或类似物；R a 和R b 中的每一个代表氢原子，可能具有取代基的C 1-8 烷基基团，或类似物。）