1-乙酰基-3-羟基氮杂环丁烷 | 118972-96-6

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 环烃
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1-乙酰基-3-羟基氮杂环丁烷
• 中文别名: 1-乙酰基-3-羟基氮杂丁烷
• 英文名称: 1-(3-hydroxyazetidin-1-yl)ethanone
• 英文别名: 1-(3-hydroxyazetidin-1-yl)ethan-1-one；N-acetyl-3-hydroxyazetidine；1-Acetyl-3-hydroxyazetidine
• CAS: 118972-96-6
• 化学式: C₅H₉NO₂
• 分子量: 115.132
• InChiKey: CSJAIVZAJZXEAW-UHFFFAOYSA-N

物化性质

• 沸点：
  275.9±33.0 °C(Predicted)
• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 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: 1-Acetyl-3-hydroxyazetidine
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: 1-Acetyl-3-hydroxyazetidine
CAS number: 118972-96-6

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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: C5H9NO2
Molecular weight: 115.1

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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.

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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：

  1-乙酰基-3-羟基氮杂环丁烷 在 重铬酸吡啶 作用下， 以 1,2-二氯乙烷 为溶剂， 以61%的产率得到1-乙酰基氮杂啶-3-酮
  参考文献：
  名称：

  Acylative Dealkylation of N-tert-Butyl-3-substituted Azetidines:  Facile Access to [1.1.0]Azabicyclobutane, 3-Hydroxyazetidinium Hydrochloride, and 3-Azetidinones

  摘要：

  A novel acylative dealkylation of N-tert-butylazetidines and its application to the facile high-yield syntheses of [1.1.0]azabicyclobutane, 3-hydroxyazetidinium hydrochloride, and 3-azetidinones is described.

  DOI：

  10.1021/jo9602579
• 作为产物：
  描述：

  1-[3-(乙酰基氧基)-1-氮杂啶]乙酮 在 甲醇 、 sodium 作用下， 生成 1-乙酰基-3-羟基氮杂环丁烷
  参考文献：
  名称：

  N-乙酰基-2- azetine的光二：合成顺-diazatricyclooctane和抗-diazatricyclooctane（二氮杂-3-梯形烷）

  摘要：

  描述了N-乙酰基-2-氮杂环丁烷的光二聚化以产生具有顺式和反式几何结构的可能的头对头二聚体。

  DOI：

  10.1016/s0040-4039(98)01138-1

文献信息

• 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF
  申请人：Genentech, Inc.

  公开号：US20200108075A1

  公开（公告）日：2020-04-09

  3-Carbonylamino-8-aminoisoquinoline compounds of formula (I): variations thereof, and their use as inhibitors of HPK1 (hematopoietic kinase 1) 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 3-carbonylamino-8-aminoisoquinoline compounds.

  公式（I）的3-羰基氨基异喹啉化合物及其变体，以及它们作为HPK1（造血激酶1）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应答方面是有用的。还描述了抑制HPK1的方法，治疗HPK1依赖性疾病的方法，增强免疫应答的方法，以及制备3-羰基氨基异喹啉化合物的方法。
• [EN] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS<br/>[FR] COMPOSÉS INDOLIQUES UTILES EN TANT QUE MODULATEURS DU RÉCEPTEUR DES ANDROGÈNES
  申请人：NIDO BIOSCIENCES INC

  公开号：WO2022020342A1

  公开（公告）日：2022-01-27

  Provided herein are compounds of formula (V) that bind to BF3 of an androgen receptor (AR), which can modulate the AR for the treatment of Kennedy's disease.

  本文提供了一种公式（V）的化合物，它们与雄激素受体（AR）的BF3结合，可以调节AR以治疗肯尼迪病。
• 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR
  申请人：Staben Steven

  公开号：US20120214762A1

  公开（公告）日：2012-08-23

  The invention relates to novel compounds of Formula I: wherein A, Y, R 1 , R 2 and the subscript b each has the meaning as described herein and compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates, metabolites, isotopes, pharmaceutically acceptable salts, or prodrugs thereof. Compounds of Formula I and pharmaceutical compositions thereof are useful in the treatment of disease and disorders in which undesired or over-activation of NF-kB signaling is observed.

  这项发明涉及公式I的新化合物： 其中A、Y、R1、R2和下标b各自具有如本文所述的含义，以及公式I的化合物、立体异构体、几何异构体、互变异构体、溶剂合物、代谢物、同位素、药学上可接受的盐或其前药。公式I的化合物及其药物组成物在治疗观察到NF-kB信号通路的不良或过度激活的疾病和紊乱中是有用的。
• Aryloxy and aryloxyalklazetidines as antiarrhythmic and anticonvulsant
  申请人：A. H. Robins Company, Incorporated

  公开号：US05130309A1

  公开（公告）日：1992-07-14

  Methods of treating cardiac arrhythmias and convulsions in warm-blooded animas and pharmaceutical compositions therefor are disclosed. The compounds useful in the methods of treatment and compositions are represented by the formula ##STR1## where n is 0 to 3 and R is H, C.sub.1 -C.sub.4 alkyl or arylalkyl and Ar is phenyl or substituted phenyl.

  本文揭示了治疗温血动物心律失常和惊厥的方法，以及用于此类方法的药物组合物。用于治疗方法和组合物中有用的化合物由以下式表示：##STR1##其中n为0至3，R为H、C.sub.1 -C.sub.4烷基或芳基烷基，Ar为苯基或取代苯基。
• [EN] IMINO SULFANONE INHIBITORS OF ENPP1<br/>[FR] INHIBITEURS IMINO SULFANONE DE L'ENPP1
  申请人：VOLASTRA THERAPEUTICS INC

  公开号：WO2021225969A1

  公开（公告）日：2021-11-11

  The present disclosure relates generally to inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1), compositions thereof, and methods of using said compounds and compositions thereof. More specifically, the present disclosure relates to sulfoximine- based inhibitors of ENPP1 of Formula (I) and methods of their use for treating disease mediated by ENPP1.

  本公开涉及一般来说是对细胞外核苷酸焦磷酸酶/磷酸二酯酶1（ENPP1）的抑制剂，其组合物以及使用所述化合物和组合物的方法。更具体地说，本公开涉及基于砜亚胺的ENPP1抑制剂，其化学式为（I），以及其用于治疗由ENPP1介导的疾病的方法。