ethyl (Z)-2-isocyano-4-methylpent-2-enoate | 42303-25-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl (Z)-2-isocyano-4-methylpent-2-enoate
• CAS: 42303-25-3
• 化学式: C₉H₁₃NO₂
• 分子量: 167.208
• InChiKey: KGPXCTWUHPCTJX-VURMDHGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl (Z)-2-isocyano-4-methylpent-2-enoate 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-Formylamino-2-isopropyl-cyclopropanecarboxylic acid ethyl ester
  参考文献：
  名称：

  Honma, Mamoru; Kirihata, Mitsunori; Uchimura, Yuka, Bioscience, Biotechnology and Biochemistry, 1993, vol. 57, # 4, p. 659 - 661

  摘要：

  DOI：
• 作为产物：
  描述：

  (Z)-2-Formylamino-4-methyl-pent-2-enoic acid ethyl ester 在 三乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl (Z)-2-isocyano-4-methylpent-2-enoate
  参考文献：
  名称：

  Honma, Mamoru; Kirihata, Mitsunori; Uchimura, Yuka, Bioscience, Biotechnology and Biochemistry, 1993, vol. 57, # 4, p. 659 - 661

  摘要：

  DOI：

文献信息

• HIV INHIBITING PYRIMIDINES DERIVATIVES
  申请人：Guillemont Jérôme Emile Georges

  公开号：US20120076835A1

  公开（公告）日：2012-03-29

  This invention concerns HIV replication inhibitors of formula the N-oxides, the pharmaceutically acceptable addition salts, the quaternary amines and the stereochemically isomeric forms thereof; their use as a medicine, their processes for preparation and pharmaceutical compositions comprising them.

  这项发明涉及公式为N-氧化物、药学上可接受的加合物、季铵盐及其立体化学异构体的HIV复制抑制剂；它们作为药物的使用、它们的制备过程以及包含它们的制药组合物。
• US20140343006A1
  申请人：——

  公开号：US20140343006A1

  公开（公告）日：2014-11-20
• HIV REPLICATION INHIBITING PYRIMIDINES
  申请人：Janssen Pharmaceutica NV

  公开号：US20170121292A1

  公开（公告）日：2017-05-04

  This invention concerns HIV replication inhibitors of formula the N-oxides, the pharmaceutically acceptable addition salts, the quaternary amines and the stereochemically isomeric forms thereof, wherein the ring containing -a 1 =a 2 -a 3 =a 4 - and -b 1 =b 2 -b 3 =b 4 - represents phenyl, pyridyl, pyrimidinyl, pirazinyl, pyridazinyl; n is 0 to 5; m is 1 to 4; R 1 is hydrogen; aryl; formyl; C 1-6 alkylcarbonyl; C 1-6 alkyl; C 1-6 alkyloxycarbonyl; substituted C 1-6 alkyl, C 1-6 alkylcarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkylcarbonyloxy; substituted C 1-6 alkyloxyC 1-6 alkylcarbonyl; R 2 is hydroxy, halo, optionally substituted C 1-6 alkyl, C 3-7 cycloalkyl, optionally substituted C 2-6 alkenyl, optionally substituted C 2-6 alkynyl, C 1-6 alkyloxy, C 1-6 alkyloxycarbonyl, carboxyl, cyano, nitro, amino, mono- or di(C 1-6 alkyl)amino, polyhalomethyl, polyhalomethyloxy, polyhalomethylthio, —S(═O) p R 6 , —NH—S(═O) p R 6 , —C(═O)R 6 , —NHC(═O)H, —C(═O)NHNH 2 , —NHC(═O)R 6 , —C(═NH)R 6 or a 5-membered heterocycle; X 1 is —NR 5 —, —NH—NH—, —N═N—, —O—, —C(═O)—, C 1-4 alkanediyl, —CHOH—, —S—, —S(═O) p —, —X 2 —C 1-4 alkanediyl- or —C 1-4 alkanediyl-X 2 —; R 3 is NHR 13 ; NR 13 R 14 ; —C(═O)—NHR 13 ; —C(═O)—NR 13 R 14 ; —C(═O)—R 15 ; —CH═N—NH—C(═O)—R 16 ; substituted C 1-6 alkyl; optionally substituted C 1-6 alkyloxyC 1-6 alkyl; substituted C 2-6 alkenyl; substituted C 2-6 alkynyl; C 1-6 alkyl substituted with hydroxy and a second substituent; —C(═N—O—R 8 )—C 1-4 alkyl; R 7 ; or —X 3 —R 7 ; R 4 is halo, hydroxy, C 1-6 alkyl, C 3-7 cycloalkyl, C 1-6 alkyloxy, cyano, nitro, polyhaloC 1-6 alkyl, polyhaloC 1-6 alkyloxy, aminocarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkylcarbonyl, formyl, amino, mono- or di(C 1-4 alkyl)amino; their use as a medicine, their processes for preparation and pharmaceutical compositions comprising them.
• US8080551B2
  申请人：——

  公开号：US8080551B2

  公开（公告）日：2011-12-20
• US9192577B2
  申请人：——

  公开号：US9192577B2

  公开（公告）日：2015-11-24