2-methyl 4-chlorophenoxypropionic acid | 2999-32-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-methyl 4-chlorophenoxypropionic acid
• 英文别名: p-chloro phenoxy isobutyric acid；p-chlorophenoxy isobutyric acid；p-chlorophenoxyisobutyrate；3-(4-Chlorophenoxy)-3-methylpropanoic acid；3-(4-chlorophenoxy)-2-methylpropanoic acid
• CAS: 2999-32-8
• 化学式: C₁₀H₁₁ClO₃
• 分子量: 214.649
• InChiKey: QBMLNKIBTFLJQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methyl 4-chlorophenoxypropionic acid 在 sodium hydroxide 、 硫酸 作用下， 反应 13.0h， 生成 R-(-)-2-methyl-3-(4-chloro-phenoxy)-propionic acid
  参考文献：
  名称：

  Enantioselective preparation of 2-alkyl-3-aryloxypropionic acids and esters and 3-alkyl-4-chromanones

  摘要：

  Lipases provided access to chiral 2-alkyl-3-aryloxypropionic acids that gave chiral 3-alkyl-4-chromanones with high enantioselectivity.

  DOI：

  10.1016/0040-4039(92)88162-x
• 作为产物：
  描述：

  2-(4-Chloro-phenoxymethyl)-2-methyl-malonic acid diethyl ester 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 2.75h， 生成 2-methyl 4-chlorophenoxypropionic acid
  参考文献：
  名称：

  Enantioselective preparation of 2-alkyl-3-aryloxypropionic acids and esters and 3-alkyl-4-chromanones

  摘要：

  Lipases provided access to chiral 2-alkyl-3-aryloxypropionic acids that gave chiral 3-alkyl-4-chromanones with high enantioselectivity.

  DOI：

  10.1016/0040-4039(92)88162-x

文献信息

• PREPARATION COMPRISING CHROMAN-2-ONE DERIVATIVES
  申请人：Mujica-Fernaud Teresa

  公开号：US20100291009A1

  公开（公告）日：2010-11-18

  The invention relates to preparations comprising at least one compound of the formula (I), where the substituents R 1 to R 4 have a meaning indicated in claim 1 , and salts and solvates thereof, and to the use thereof and selected compounds of the formula (I).

  该发明涉及包含至少一种式(I)化合物的制剂，其中取代基R1至R4具有权利要求1中指示的含义，以及其盐和溶剂合物，以及其用途和选择的式(I)化合物。
• [EN] PHENOXY ACIDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS<br/>[FR] ACIDES PHÉNOXY POUR LE TRAITEMENT DE TROUBLES NEUROMUSCULAIRES
  申请人：NMD PHARMA AS

  公开号：WO2019115780A1

  公开（公告）日：2019-06-20

  The present invention relates to compounds suitable for treating, ameliorating and/or preventing neuromuscular disorders, including the reversal of drug-induced neuromuscular blockade. The compounds as defined herein preferably inhibit the ClC-1 ion channel.

  本发明涉及适用于治疗、改善和/或预防神经肌肉疾病的化合物，包括逆转药物诱导的神经肌肉阻滞。所述化合物如本文所定义，优选抑制ClC-1离子通道。
• Chromenone derivatives and their use for treating diseases in conjunction with 5-hta1receptors and/or dopamine d2 receptors
  申请人：——

  公开号：US20040014768A1

  公开（公告）日：2004-01-22

  Novel chromenone derivatives of the formula I 1 in which Y, X, R 1 , R 2 , R 3 and n are as defined in claim 1, as inhibitors of the 5-HT 1A receptor and of the dopamine D 2 receptor.

  新型的咖啡酮衍生物，其化学式为I1，在该化学式中Y、X、R1、R2、R3和n的定义如权利要求书中所述，作为5-HT1A受体和多巴胺D2受体的抑制剂。
• [EN] COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS<br/>[FR] COMPOSÉS DESTINÉS AU TRAITEMENT DE TROUBLES NEUROMUSCULAIRES
  申请人：NMD PHARMA AS

  公开号：WO2020254553A1

  公开（公告）日：2020-12-24

  The present disclosure relates to compounds suitable for treating, ameliorating and/or preventing neuromuscular disorders, including the reversal of drug-induced neuromuscular blockade. The compounds as defined herein preferably inhibit the CIC-1 ion channel.

  本公开涉及适用于治疗、改善和/或预防神经肌肉疾病的化合物，包括逆转药物诱导的神经肌肉阻滞。本文所定义的化合物优选抑制CIC-1离子通道。
• Urea and urethane derivatives as integrin inhibitors
  申请人：——

  公开号：US20040063644A1

  公开（公告）日：2004-04-01

  Novel urea and urethane derivatives of general formula (I) in which R1, R2, R3, R5, R5′, X, Y, B, m, n and o are as defined in Patent claim 1, and physiologically acceptable salts or solvates thereof are integrin inhibitors and can be employed for combating thromboses, cardiac infarction, coronary heart disease, arteriosclerosis, inflammation, tumours. Osteoporosis, infections and restenosis after angioplasty or in pathological processes maintained or propagated by antiogenesis.

  通式（I）的新型脲和脲醚衍生物，其中R1、R2、R3、R5、R5'、X、Y、B、m、n和o如专利权要求书1中所定义，并且其生理上可接受的盐或溶剂化物是整合素抑制剂，可用于抗击血栓、心肌梗塞、冠心病、动脉硬化、炎症、肿瘤、骨质疏松症、感染和在抗血管生成维持或传播的病理过程中的再狭窄治疗。