1-溴乙基乙酸酯 | 40258-78-4

• 物质功能分类: 化学试剂 - 有机试剂 - 卤代脂肪烃
• 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-溴乙基乙酸酯
• 中文别名: 乙酸1-溴乙酯；1-溴代乙基乙酸酯；1-乙酰氧基乙溴化物；溴乙基乙酸酯
• 英文名称: 1-bromoethyl acetate
• 英文别名: 1-acetoxyethyl bromide；[R,S]-1-acetoxy-1-bromoethane
• CAS: 40258-78-4
• 化学式: C₄H₇BrO₂
• 分子量: 167.002
• InChiKey: IIASCQBFNHWZBE-UHFFFAOYSA-N

物化性质

• 沸点：
  122-125 °C(Press: 738 Torr)
• 密度：
  1.48
• 溶解度：
  可溶于氯仿（少量）、甲醇（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2915390090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  存储条件：2-8℃，干燥，密封。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromoethyl acetate
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-Bromoethyl acetate
CAS number: 40258-78-4

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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, refrigerated.
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: C4H7BrO2
Molecular weight: 167.0

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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

制备方法与用途

1-溴乙酸乙酯是一种用于抗生素改性的1-卤代烷基酯。

反应信息

• 作为反应物：
  描述：

  1-溴乙基乙酸酯 、 酮咯酸 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以80%的产率得到5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid-1-(acetoxy)ethyl ester
  参考文献：
  名称：

  酮咯酸酯类衍生物静脉注射脂肪乳剂、制备方法和应用

  摘要：

  本发明属于药物制剂领域，具体涉及一种复方酮咯酸酯类衍生物和咖啡因静脉注射脂肪乳剂、制备方法和应用。本静脉注射脂肪乳剂将酮咯酸酯类衍生物和咖啡因溶于静脉乳剂中形成乳粒，作为药物载体；酮咯酸酯类“前体药物”可以溶解在静脉乳剂的小油滴（乳粒）内部或界面膜上，可在一定条件下的贮存过程中保持理化性质稳定，提高了缓释性能，延长了药效时间。

  公开号：

  CN110339164A
• 作为产物：
  描述：

  乙酸乙烯酯 在 氢溴酸 作用下， 以98%的产率得到1-溴乙基乙酸酯
  参考文献：
  名称：

  通过异位生成 HX 和 DX 气体进行无溶剂氢卤化和氘卤化

  摘要：

  通过使用两室反应器异位产生接近化学计量的氢气和卤化氘气体，对烯烃进行无溶剂加氢和氘代卤化。在对底物进行化学和区域选择性转化后，可以分离卤化物产物，无需任何后处理或纯化步骤，使其成为一种清洁、劳动力、废物和成本效益高的方法。

  DOI：

  10.1002/ejoc.202300785
• 作为试剂：
  描述：

  1-溴乙基乙酸酯 、 cefuroxime sodium 、 乙酸乙酯 、 碳酸氢钠 在 potassium carbonate 1-溴乙基乙酸酯 、 Δ2 、 盐酸 、 氯化钠 、 乙酸乙酯 、 甲烷 、 异丙醚 、 ethyl acetate diisopropyl ether 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 7.75h， 以to give crystalline cefuroxime axetil (19.3 g)的产率得到头孢呋辛酯
  参考文献：
  名称：

  Process for preparation of cefuroxime ester

  摘要：

  本文描述了一种产品，它是头孢呋酯乙酰基（头孢呋酯1-乙酰氧基乙酯）的高纯度、基本无定形形式，具有稳定性，通过胃肠道吸收增加，口服或直肠给药时具有相应的高生物利用度。本文还描述了制备该产品的方法，其中包括从其溶液中回收产品的方法。首选方法是使用喷雾干燥技术，但还描述了辊筒干燥、溶剂沉淀或冷冻干燥的方法。此外，本文还披露了含有该产品的制药组合物以及在医学上使用该产品的方法。

  公开号：

  US04994567A1

文献信息

• Cephem compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04871730A1

  公开（公告）日：1989-10-03

  A cephem compound of the formula: ##STR1## wherein R.sup.1 is a group of the formula: ##STR2## in which R.sup.5 is amino or protected amino, R.sup.6 is hydrogen, lower alkyl, lower alkenyl, lower alkynyl, carboxy(lower) alkyl, protected carboxy(lower) alkyl, cyclo(lower) alkyl or cyclo (lower)alkenyl, and Z is CH or N; R.sup.2 is hydrogen, phenyl, pyridyl which may have a lower alkyl group, or cyano; and R.sup.3 is carboxy or protected carboxy; and pharmaceutically acceptable salt thereof.

  一种头孢菌素化合物，其公式为：##STR1##，其中R.sup.1是一个具有以下公式的基团：##STR2##，在该基团中R.sup.5是氨基或受保护的氨基，R.sup.6是氢，低级烷基，低级烯基，低级炔基，羧酸（低级）烷基，受保护的羧酸（低级）烷基，环（低级）烷基或环（低级）烯基，且Z是CH或N；R.sup.2是氢，苯基，可能带有低级烷基的吡啶基，或腈基；R.sup.3是羧酸或受保护的羧酸；以及药用可接受的盐。
• Behaviour of α-functional organotransition metals. Synthesis, characterisation and some reactions of 1-acetoxyalkyl derivatives of iron(II) and molybdenum(II)
  作者：Susanna E. Himmel、G.Brent Young、Dawning C.M. Fung、Christine Hollinshead

  DOI：10.1016/s0277-5387(00)84511-8

  日期：1985.1

  Abstract Acetoxyalkyl metal derivatives M(C 5 H 5 )(CO) n [CHROC(O)Me] [M = Fe, n = 2; M = Mo, n = 3; R = H, Me] are readily prepared by reaction of bromoalkylacetates with the appropriate cyclopentadienylcarbonylmetallate anion. The complexes are characterised by their NMR ( 1 H and 13 C) and IR parameters and by mass spectrometry. The acetoxyethyl species are thermally labile via β-hydrogen transfer

  摘要乙酰氧基烷基金属衍生物M（C 5 H 5）（CO）n [CHROC（O）Me] [M = Fe，n = 2; M = Mo，n = 3；通过使溴代烷基乙酸酯与适当的环戊二烯基羰基金属化物阴离子反应，可以容易地制备R ＝ H，Me]。配合物的特征在于其NMR（1 H和13 C）和IR参数以及质谱。乙酰氧基乙基物质通过β-氢转移具有热不稳定性。用质子酸处理乙酰氧基甲基络合物会导致碳-氧裂解并释放出乙酸。HCl提供氯甲基配合物，羧酸生成新的羧甲基甲基衍生物，HBF 4导致分解。金属酯抗亲核试剂（HO-，MeO-，H 2 N-Et 2 N-）的水解，酯交换作用和羧酸盐置换。不能诱导CO的迁移插入。
• [EN] SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION<br/>[FR] PYRIDOINDOLES SUBSTITUÉS POUR LE TRAITEMENT ET LA PROPHYLAXIE D'UNE INFECTION BACTÉRIENNE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2020064661A1

  公开（公告）日：2020-04-02

  The present invention relates to novel compounds of formula (I) or (II), (I) or (II), wherein R1 to R6, R11 to R17 are as described herein, and their pharmaceutically acceptable salt thereof, and compositions including the compounds and methods of using the compounds.

  本发明涉及式(I)或(II)的新化合物，其中R1至R6，R11至R17如本文所述，以及其药学上可接受的盐，以及包括这些化合物的组合物和使用这些化合物的方法。
• Piperazine compounds and medicinal use thereof
  申请人：Mitsubishi Pharma Corporation

  公开号：US06455528B1

  公开（公告）日：2002-09-24

  The present invention relates to a piperazine compound of the formula wherein R1 and R2 are each hydrogen, halogen, lower alkyl, lower alkoxy, amino, substituted amino, nitro, hydroxy or cyano, R3, R4 and R5 are each hydrogen, halogen, lower alkyl, lower alkoxy, nitro, amino, substituted amino or hydroxy, R6 and R7 are each hydrogen, lower alkyl, lower alkyl substituted by halogen, aralkyl, acyl or lower acyl substituted by halogen, R8 and R9 are each hydrogen or lower alkyl, Y is lower alkylene and the like, and ring A is phenyl, pyrimidyl, thiazolyl, pyridyl, pyrazyl or imidazolyl, a pharmaceutically acceptable salt thereof and pharmaceutical agents containing these compounds. The compound of the present invention has superior TNF-&agr; production inhibitory effect and/or IL-10 production promoting effect, and, since it is free of or shows only strikingly reduced expression of an effect on the central nervous system, the compound is useful as a highly safe and superior TNF-&agr; production inhibitor an/or IL-10 production promoter and is useful as an agent for the prophylaxis or treatment of various diseases caused by abnormal TNF-&agr; production, diseases curable with IL-10, such as chronic inflammatory diseases, acute inflammatory diseases, inflammatory diseases due to infection, autoimmune diseases, allergic diseases, and TNF-&agr; mediated diseases.

  本发明涉及一种哌嗪化合物，其化学式为 其中R1和R2分别为氢、卤素、低烷基、低烷氧基、氨基、取代氨基、硝基、羟基或氰基，R3、R4和R5分别为氢、卤素、低烷基、低烷氧基、硝基、氨基、取代氨基或羟基，R6和R7分别为氢、低烷基、受卤素取代的低烷基、芳基烷基、酰基或受卤素取代的低酰基，R8和R9分别为氢或低烷基，Y为低烷基烯基等，环A为苯基、嘧啶基、噻唑基、吡啶基、吡啉基或咪唑基，其药学上可接受的盐及含有这些化合物的药物制剂。本发明的化合物具有优越的TNF-α产生抑制作用和/或IL-10产生促进作用，由于它不含或仅显示对中枢神经系统有显著减少的作用，该化合物可用作高度安全和优越的TNF-α产生抑制剂和/或IL-10产生促进剂，并可用作预防或治疗由异常TNF-α产生引起的各种疾病的药剂，例如可用于治疗可通过IL-10治愈的慢性炎症性疾病、急性炎症性疾病、感染引起的炎症性疾病、自身免疫疾病、过敏性疾病和TNF-α介导的疾病。
• 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。）