γ,γ-Dichloroallyl acetate | 3039-54-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: γ,γ-Dichloroallyl acetate
• 英文别名: acetic acid-(3,3-dichloro-allyl ester)；Essigsaeure-(3,3-dichlor-allylester)；1,1-Dichlor-3-acetoxy-propen-(1)；gamma,gamma-Dichloroallyl acetate；3,3-dichloroprop-2-enyl acetate
• CAS: 3039-54-1
• 化学式: C₅H₆Cl₂O₂
• 分子量: 169.007
• InChiKey: KWBHZPVQDKMGJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  γ,γ-Dichloroallyl acetate 在 盐酸 、 甲醇 作用下， 生成 3,3-二氯丙-2-烯-1-醇
  参考文献：
  名称：

  Freidlina et al., Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1956, p. 1202,1204;engl.Ausg.S.1229,1231

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1,1,3-四氯丙烷 、 sodium acetate 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以95%的产率得到γ,γ-Dichloroallyl acetate
  参考文献：
  名称：

  Reaction of ?,?,?-trichloro- and ?,?,?,?-tetrachloroalkanes with alkali metal acylates in aprotic solvents

  摘要：

  Polychloroalkanes and -alkenes R(CH2)nCl (R = CHCl2CH2, CCl2 = CH, n = 1, 3) in dipolar aprotic solvents - dimethylformamide (DMF), dimethylsulfoxide (DMSO), hexamethylphosphoramide (HMPA) - at 130-150-degrees-C react selectively at the CH2Cl group with salts of carboxylic acids R'CO2K(Na) to form dichloroesters R'CO2. (CH2)nR (R = CHCl2CH2, CCl2 = CH). In tetrachloroalkanes CCl3CH2(CH2)nCl (n = 1, 3, 5) under the same conditions the selectivity of the CCl3 and CH2Cl groups relative to the nucleophile R'CO2K(Na) is altered - unsaturated esters R'CO2(CH2)nCH = CCl2 are formed in one stage with yields of 75-90%. Under the selected conditions, high conversion of polychloroalkanes to esters is attained 3 to 5 times more rapidly than in acid media. The structure of the ester obtained has been confirmed by their PMR spectra.

  DOI：

  10.1007/bf01184532

文献信息

• Pharmaceutical compositions containing polycyclic cyanoketones
  申请人：STERLING DRUG INC.

  公开号：EP0009801A1

  公开（公告）日：1980-04-16

  (18β and 18a)-2a-Cyano-3,11-dioxo-olean-12-en-29-oic acids and lower-alkyl esters thereof, useful as ulcer preventing and ulcer healing agents, are prepared from 18β- or 18a-glycyrrhetinic acid, the final step being alkaline cleavage of 18β- or 18α-11-oxo-olean-2,12-dieno[2,3-djisox-azol-29- oic acid followed by optional acidification of the basic salt obtained and optional esterification of the free acid thus obtained.

  (18β和18a)-2a-氰基-3,11-二氧代-油环-12-烯-29-酸及其低级烷基酯，可作为溃疡预防剂和溃疡愈合剂，由18β-或18a-甘草次酸制备、最后一步是碱性裂解 18β- 或 18α-11- 氧代-2,12-二烯并[2,3-二异噁唑-29-酸，然后任选酸化得到的碱性盐，并任选酯化由此得到的游离酸。
• Thiazole derivatives, process for their preparation and pharmaceutical compositions containing them
  申请人：ELI LILLY AND COMPANY

  公开号：EP0091220A2

  公开（公告）日：1983-10-12

  N-alkenyl (or N-alkynyl)-N'-[2-(aminoalkyl)-4-thiazolyl- methylthioalkyl]guanidines, thioureas, ethenediamines and related compounds of the following formula wherein each of R' and R2 are individually H or (C1-C4)-alkyl, one of R' and R2 can be benzyl or benzoyl, and when taken together with the nitrogen to which they are attached, form a saturated heterocyclic ring containing from 5 to 7 ring atoms including 1 or 2 heteroatoms; except that only one of R' and R2 can be H when Z is CH2; R3 is H or (C1-C3)alkyl; Z is 0, S or CH2; n is 2 or 3 when Z is S or 0 and is 1, 2 or 3 when Z is CH2; m is 1. 2 or 3; R6 is H or CH3; wherein A is N-CN, N-NO2, CH-NO2, S, 0, NH, N-(C1-C4)alkyl, N-SO2-aryl, N-SO2-(C1-C4)alkyl, N-CO-NH2, N-CO-(C1-C4)alkyl, N-C02(C,-C4)alkyl, CH-S02-aryl or CH-SO2-(C1-C4)alkyl, wherein aryl is phenyl, halophenyl, (C1-C4)alkylphenyl or (C1-C4)alkyloxy- phenyl; and R is (C2-C4)alkenyl or (C2-C4)alkynyl; and R8 and R9 are individually H, CH3 or C2H5, with the proviso that the total number of carbon atoms in the group CR8R9R be less than 7; or a pharmaceutically-acceptable salt thereof. The compounds are H2 receptor antagonists, useful in inhibiting gastric acid secretion in mammals.

  N-烯基（或 N-炔基）-N'-[2-(氨基烷基)-4-噻唑基-甲硫基烷基]胍类、硫脲类、乙烯二胺类及下式的相关化合物 其中，R'和 R2 分别为 H 或（C1-C4）-烷基，R'和 R2 中的一个可以是苄基或苯甲酰基，当它们与所连接的氮结合在一起时，形成一个含有 5 至 7 个环原子（包括 1 或 2 个杂原子）的饱和杂环；但当 Z 为 CH2 时，R'和 R2 中只有一个可以是 H； R3 是 H 或 (C1-C3) 烷基； Z 是 0、S 或 CH2； 当 Z 为 S 或 0 时，n 为 2 或 3；当 Z 为 CH2 时，n 为 1、2 或 3； m 是 1、2 或 3； R6 是 H 或 CH3； 其中 A 是 N-CN、N-NO2、CH-NO2、S、0、NH、N-(C1-C4)烷基、N-SO2-芳基、N-SO2-(C1-C4)烷基、N-CO-NH2、N-CO-(C1-C4)烷基、N-C02(C,-C4)烷基、CH-S02-芳基或 CH-SO2-(C1-C4)烷基，其中芳基是苯基、卤代苯基、(C1-C4)烷基苯基或(C1-C4)烷氧基苯基；R为(C2-C4)烯基或(C2-C4)炔基；R8和R9分别为H、CH3或C2H5，但CR8R9R基团中的碳原子总数应少于7；或其药学上可接受的盐。这些化合物是 H2 受体拮抗剂，可用于抑制哺乳动物的胃酸分泌。
• Synthesis of α-chlorocarboxylic acids by chlorinating compounds containing the CCl2CH group in acid medium
  作者：A.N. Nesmeyanov、R.Kh. Freidlina、V.N. Kost、T.T. Vassilyeva、B.V. Kopylova

  DOI：10.1016/s0040-4020(01)99005-2

  日期：1962.1
• Kost et al., Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1959, p. 2122,2124; engl. Ausg. S. 2025
  作者：Kost et al.

  DOI：——

  日期：——
• Shakhnazaryan,G.M.; Bayatyan,B.E., Journal of applied chemistry of the USSR, 1974, vol. 47, p. 1225 - 1227
  作者：Shakhnazaryan,G.M.、Bayatyan,B.E.

  DOI：——

  日期：——