chloro-(4-chloro-phenyl)-acetic acid methyl ester | 67447-60-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: chloro-(4-chloro-phenyl)-acetic acid methyl ester
• 英文别名: Chlor-(4-chlor-phenyl)-essigsaeure-methylester；methyl 2-chloro-2-(4-chlorophenyl)acetate
• CAS: 67447-60-3
• 化学式: C₉H₈Cl₂O₂
• 分子量: 219.067
• InChiKey: HBMSRVGZKKNZLW-UHFFFAOYSA-N

物化性质

• 沸点：
  140-143 °C(Press: 16 Torr)
• 密度：
  1.317±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  、 chloro-(4-chloro-phenyl)-acetic acid methyl ester 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以66%的产率得到methyl 2-[4-[(2S)-4-[3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-2-(4-chlorophenyl)acetate
  参考文献：
  名称：

  WO2006/88840

  摘要：

  公开号：
• 作为产物：
  描述：

  对氯扁桃酸 在 五氯化磷 作用下， 生成 chloro-(4-chloro-phenyl)-acetic acid methyl ester
  参考文献：
  名称：

  Baker et al., Journal of the Chemical Society, 1950, p. 1542,1548

  摘要：

  DOI：

文献信息

• Enantioselective α-Chlorination Reactions of in Situ Generated C1 Ammonium Enolates under Base-Free Conditions
  作者：Lotte Stockhammer、David Weinzierl、Thomas Bögl、Mario Waser

  DOI：10.1021/acs.orglett.1c02256

  日期：2021.8.6

  esters can be carried out with high levels of enantioselectivities utilizing commercially available isothiourea catalysts under base-free conditions. The reaction, which proceeds via the in situ formation of chiral C1 ammonium enolates, is best carried out under cryogenic conditions combined with a direct trapping of the activated α-chlorinated ester derivative to prevent epimerization, thus allowing

  活化芳基乙酸酯的不对称 α-氯化可以在无碱条件下使用市售的异硫脲催化剂以高水平的对映选择性进行。该反应通过原位形成手性 C1 烯醇化铵进行，最好在低温条件下进行，同时直接捕获活化的 α-氯化酯衍生物以防止差向异构化，从而实现高达 er 99 的对映选择性： 1.
• Procedure for the preparation of methyl (+)-(S)-Alpha-(O-chlorophenyl)-6,7-dihydrothieno-[3,2-C]pyridine-5(4H) acetate
  申请人：BATTULA, Srinivasa Reddy

  公开号：EP1980563A1

  公开（公告）日：2008-10-15

  A process for the preparation of Methyl (+)-(S)-α-(o-chlorophenyl)-6,7-dihydrothieno-[3,2-c]pyridine-5(4H)acetate of formula I: the process comprising: a. reacting 4,5,6,7-tetrahydro[3,2-c]thieno pyridyl methane (II) with 2-halophenyl acetic acid derivative of formula III b. extracting the formed product (+/-) clopidogrel in to solvent from the reaction mixture of step a; c. resolution of (+/-) clopidogrel of step b with levorotatory camphor sulfonic acid and isolation of the (+) clopidogrel camphor sulfonic acid salt; d. purifying (+) clopidogrel camphor salt; and e. neutralization of the camphor salt of step d with aqueous base in solvent and isolation of (+) clopidogrel base by separation and removal solvent.

  一种制备甲基(+)-(S)-α-(邻氯苯基)-6,7-二氢噻吩-[3,2-c]吡啶-5(4H)乙酸酯的工艺：该工艺包括：a.将4,5,6,7-四氢[3,2-c]噻吩基甲烷(II)与式III的2-卤苯乙酸衍生物反应；b.将在步骤a的反应混合物中形成的产物(+/-)氯吡格雷提取到溶剂中；c.用左旋樟脑磺酸分离步骤b中的(+/-)氯吡格雷并分离出(+)-氯吡格雷樟脑磺酸盐；d.纯化(+)-氯吡格雷樟脑盐；和e.将步骤d中的樟脑盐用溶剂中的水性碱中和，通过分离和去除溶剂分离出(+)-氯吡格雷碱。
• Amine-linked pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity
  申请人：Wong K. C. Michael

  公开号：US20060276480A1

  公开（公告）日：2006-12-07

  The present application discloses a compound, or enantiomers, stereoisomers, rotamers, tautomers, racemates or prodrug of said compound, or pharmaceutically acceptable salts, solvates or esters of said compound, or of said prodrug, said compound having the general structure shown in Formula 1: and the pharmaceutically acceptable salts, solvates and esters thereof. Also disclosed is a method of treating chemokine mediated diseases, such as, palliative therapy, curative therapy, prophylactic therapy of certain diseases and conditions such as inflammatory diseases (non-limiting example(s) include, psoriasis), autoimmune diseases (non-limiting example(s) include, rheumatoid arthritis, multiple sclerosis), graft rejection (non-limiting example(s) include, allograft rejection, xenograft rejection), infectious diseases (e.g, tuberculoid leprosy), fixed drug eruptions, cutaneous delayed-type hypersensitivity responses, ophthalmic inflammation, type I diabetes, viral meningitis and tumors using a compound of Formula 1.

  本申请披露了一种化合物，或其对映体、立体异构体、转轮异构体、互变异构体、外消旋体或前药，或该化合物的药学上可接受的盐、溶剂化合物或酯，或该前药的药学上可接受的盐、溶剂化合物或酯，该化合物具有如公式1所示的通用结构，以及其药学上可接受的盐、溶剂化合物和酯。还披露了一种治疗趋化因子介导疾病的方法，例如对于炎症性疾病（非限定性示例包括银屑病）、自身免疫性疾病（非限定性示例包括类风湿性关节炎、多发性硬化症）、移植排斥（非限定性示例包括同种移植排斥、异种移植排斥）、感染性疾病（例如结核性麻风）、固定药物性皮疹、皮肤延迟型超敏反应、眼部炎症、1型糖尿病、病毒性脑膜炎和肿瘤使用公式1的化合物。
• NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE OR PHENYL COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY
  申请人：Anilkumar Gopinadhan N.

  公开号：US20080292589A1

  公开（公告）日：2008-11-27

  The present application discloses a compound, or enantiomers, stereoisomers, rotamers, tautomers, racemates or prodrug of said compound, or pharmaceutically acceptable salts, solvates or esters of said compound, or of said prodrug, said compound having the general structure shown in Formula 1: or a pharmaceutically acceptable salt, solvate or ester thereof. Also disclosed is a method of treating chemokine mediated diseases, such as, palliative therapy, curative therapy, prophylactic therapy of certain diseases and conditions such as inflammatory diseases (non-limiting example(s) include, psoriasis), autoimmune diseases (non-limiting example(s) include, rheumatoid arthritis, multiple sclerosis), graft rejection (non-limiting example(s) include, allograft rejection, zenograft rejection), infectious diseases (e.g, tuberculoid leprosy), fixed drug eruptions, cutaneous delayed-type hypersensitivity responses, ophthalmic inflammation, type I diabetes, viral meningitis and tumors using a compound of Formula 1.

  本申请披露了一种化合物或其对映体、立体异构体、转位异构体、互变异构体、外消旋体或前药，或者该化合物的药学上可接受的盐、溶剂化物或酯，或者该前药的药学上可接受的盐、溶剂化物或酯，该化合物具有如公式1所示的一般结构，或其药学上可接受的盐、溶剂化物或酯。同时，本申请还披露了一种使用公式1的化合物治疗趋化因子介导的疾病的方法，例如缓解疗法、治愈疗法、预防性治疗某些疾病和情况，例如炎症性疾病（非限定性例子包括牛皮癣）、自身免疫性疾病（非限定性例子包括类风湿性关节炎、多发性硬化）、移植排斥（非限定性例子包括同种异体排斥、异种异体排斥）、传染病（例如结核性麻风）、固定药物性皮疹、皮肤迟发型超敏反应、眼科炎症、I型糖尿病、病毒性脑膜炎和肿瘤的方法。
• HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY
  申请人：Kim Seong Heon

  公开号：US20110065651A1

  公开（公告）日：2011-03-17

  The present application discloses a compound, or enantiomers, stereoisomers, rotamers, tautomers, racemates or prodrug of said compound, or pharmaceutically acceptable salts, solvates or esters of said compound, or of said prodrug, said compound having the general structure shown in Formula 1: or a pharmaceutically acceptable salt, solvate or ester thereof, wherein the various moieties are defined herein. Also disclosed is a method of treating chemokine mediated diseases, such as, palliative therapy, curative therapy, prophylactic therapy of certain diseases and conditions such as inflammatory diseases (non-limiting example(s) include, psoriasis), autoimmune diseases (non-limiting example(s) include, rheumatoid arthritis, multiple sclerosis), graft rejection (non-limiting example(s) include, allograft rejection, xenograft rejection), infectious diseases (e.g, tuberculoid leprosy), fixed drug eruptions, cutaneous delayed-type hypersensitivity responses, ophthalmic inflammation, type I diabetes, viral meningitis and tumors using a compound of Formula 1.

  本申请披露了一种化合物，或该化合物的对映体、立体异构体、转轮异构体、互变异构体、外消旋体或前药，或该化合物或该前药的药学上可接受的盐、溶剂合物或酯，该化合物具有如公式1所示的一般结构，或其药学上可接受的盐、溶剂合物或酯，其中各种基团在此处定义。还披露了一种治疗趋化因子介导疾病的方法，例如，某些疾病和病症的姑息疗法、治愈疗法、预防性疗法，如炎症性疾病（非限制性例子包括银屑病），自身免疫性疾病（非限制性例子包括类风湿性关节炎、多发性硬化症），移植排斥（非限制性例子包括同种异体排斥、异种排斥），传染病（例如，结核性麻风），固定药物性皮疹，皮肤延迟型超敏反应，眼部炎症，I型糖尿病，病毒性脑膜炎和肿瘤，使用公式1的化合物。