3-溴甲基-3-羟甲基-1-氧杂环丁烷 | 22633-44-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环丁烷
• 中文名称: 3-溴甲基-3-羟甲基-1-氧杂环丁烷
• 中文别名: 3-溴甲基-3-氧杂环丁烷甲醇
• 英文名称: [3-(bromomethyl)oxetan-3-yl]methanol
• 英文别名: 3-(bromomethyl)-3-(hydroxymethyl)oxetane；3-bromomethyl-3-hydroxymethyl-1-oxetane；(3-(Bromomethyl)oxetan-3-yl)methanol
• CAS: 22633-44-9
• 化学式: C₅H₉BrO₂
• mdl: MFCD09800598
• 分子量: 181.029
• InChiKey: SESXZSLSTRITGO-UHFFFAOYSA-N

物化性质

• 沸点：
  242℃
• 密度：
  1.598
• 闪点：
  100°(212°F)
• 保留指数：
  1220

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• TSCA：
  No
• 海关编码：
  2932999099
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
(3-(Bromomethyl)oxetan-3-yl)methanol
Product Name:
Synonyms:

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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.
(3-(Bromomethyl)oxetan-3-yl)methanol
Ingredient name:
CAS number: 22633-44-9

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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.

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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: C5H9BrO2
Molecular weight: 181

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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, hydrogen bromide.

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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：

  3-溴甲基-3-羟甲基-1-氧杂环丁烷 生成 3-(bromomethyl)oxetane-3-carboxylic acid
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF N-[(3-AMINOOXETAN-3-YL)METHYL]-2-(1,1-DIOXO-3,5-DIHYDRO-1,4-BENZOTHIAZEPIN-4-YL)-6-METHYL-QUINAZOLIN-4-AMINE

  摘要：

  本发明涉及一种新型方法，用于制备式(I)化合物及其药学上可接受的酸盐，该化合物可用于哺乳动物或人类的呼吸道合胞病毒(RSV)感染的预防和治疗。

  公开号：

  US20160326160A1
• 作为产物：
  描述：

  二溴新戊二醇 在 乙醇 、 sodium 作用下， 反应 2.0h， 以87%的产率得到3-溴甲基-3-羟甲基-1-氧杂环丁烷
  参考文献：
  名称：

  3,3-二取代的氧杂环丁烷构件的合成

  摘要：

  描述了两组不同的3,3-二取代的氧杂环丁烷构件的合成。这些分子可以有用地掺入更复杂的结构中，以调节其代谢和物理化学性质。合成途径是通用的，可以用于许多其他相关衍生物的合成。

  DOI：

  10.1016/j.tetlet.2010.11.118

文献信息

• [3-(胺甲基)-氧杂环丁烷-3-基]氨基甲酸对 甲氧基苄酯对氯苯甲酸盐合成方法
  申请人：上海爱科百发生物医药技术有限公司

  公开号：CN108017599B

  公开（公告）日：2020-03-03

  本发明提供一种[3‑(胺甲基)‑氧杂环丁烷‑3‑基]氨基甲酸对甲氧基苄酯对氯苯甲酸盐的合成方法，其特征在于，包括如下步骤：a.使用环状酰亚胺基团取代化合物1的溴基生成化合物2，环状酰亚胺基团为邻苯二甲酰亚胺、丁二酰亚胺、马来酰亚胺的任一种；b.使用伯胺与化合物2进行胺化反应生成化合物3；c.化合物3与对氯苯甲酸反应得到化合物4；反应路线如下：本发明提供的合成方法更加环保，并且适于大规模工业化生产。
• [EN] PYRROLO[2,3-D]PYRIMIDINE TROPOMYOSIN-RELATED KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE ASSOCIÉE À LA TROPOMYOSINE PYRROLO[2,3-D]PYRIMIDINE
  申请人：PFIZER LTD

  公开号：WO2014053967A1

  公开（公告）日：2014-04-10

  The present invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine, in particular as Trk antagonists.

  本发明涉及式(I)化合物及其药用可接受的盐，其中取代基如本文所述，并且它们在医学上的用途，特别是作为Trk拮抗剂。
• [EN] PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS<br/>[FR] DÉRIVÉS D'ACIDE PHÉNYLALCANOÏQUE EN TANT QU'AGONISTES DU RPG
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2013128378A1

  公开（公告）日：2013-09-06

  The present invention relates to phenyl alkanoic acid derivatives (the compounds of Formula (I)); and their isotopic forms, stereoisomeric and tautomeric forms and mixtures thereof in all ratios, or pharmaceutically acceptable salts, pharmaceutically acceptable solvates, prodrugs, polymorphs, N-oxides, S-oxides or carboxylic acid isosteres thereof. The invention also relates to processes for the preparation of compounds of Formula (I) and pharmaceutical compositions comprising one or more of the compounds of Formula (I). The said compounds and the pharmaceutical composition function as GPR (G-protein coupled receptor) agonists, particularly as GPR40 agonists, and are useful in the treatment of diseases or conditions mediated by GPR40. The present invention further relates to a method of treatment of diseases or conditions mediated by GPR40comprising administering to a subject in need thereof a therapeutically effective amount of the compounds of Formula (I).

  本发明涉及苯基烷酸衍生物（公式(I)的化合物）；及其同位素形式、立体异构体、互变异构体和所有比例的混合物，或其药物可接受的盐、药物可接受的溶剂化物、前药、多态性、N-氧化物、S-氧化物或羧酸的等排体。本发明还涉及制备公式(I)化合物的方法和包含一个或多个公式(I)化合物的药物组合物。所述化合物和药物组合物作为GPR（G蛋白偶联受体）激动剂，特别是作为GPR40激动剂，并且可用于治疗由GPR40介导的疾病或状况。本发明进一步涉及一种治疗由GPR40介导的疾病或状况的方法，包括向需要治疗的受试者施用治疗有效量的公式(I)化合物。
• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRAZOLO[1,5-A]PYRIDINE EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ANDREWS STEVEN W

  公开号：WO2018071447A1

  公开（公告）日：2018-04-19

  Provided herein are compounds of the Formula I and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, X1, X2, X3, X4, Ring D, and E have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

  本文件提供了公式I的化合物以及立体异构体和药用可接受的盐或溶剂化物，其中A、B、X1、X2、X3、X4、环D和E具有说明书中给出的含义，它们是RET激酶的抑制剂，可用于治疗和预防可通过RET激酶抑制剂治疗的疾病，包括与RET相关疾病和失调。
• [EN] MAP4K4 INHIBITORS<br/>[FR] INHIBITEURS DE MAP4K4
  申请人：IMPERIAL INNOVATIONS LTD

  公开号：WO2019073253A1

  公开（公告）日：2019-04-18

  This invention relates to pyrrolopyrimidine comprising compounds that may be useful as inhibitors of Mitogen-activated Protein Kinase Kinase Kinase Kinase-4 (MAP4K4). The invention also relates to the use of these pyrrolopyrimidine comprising compounds, for example in a method of treatment. There are also provided processes for producing compounds of the present invention and method of their use. In particular, the present invention relates to compounds of formula (I).

  这项发明涉及含有吡咯吡嘧啶的化合物，这些化合物可能作为丝裂原活化蛋白激酶激酶激酶激酶-4（MAP4K4）的抑制剂而有用。该发明还涉及利用这些含有吡咯吡嘧啶的化合物，例如在治疗方法中的使用。还提供了生产本发明化合物的方法以及它们的使用方法。具体而言，本发明涉及式（I）的化合物。