Methyl amino(phenyl)acetate hydrochloride (1:1) | 15028-40-7

• 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
• 英文名称: Methyl amino(phenyl)acetate hydrochloride (1:1)
• 英文别名: DL-2-phenylglycine methyl ester hydrochloride；dl-α-phenylglycine methyl ester hydrochloride；(RS)-phenylglycine methyl ester hydrochloride salt；methyl 2-amino-2-phenylacetate hydrogen chloride；methyl-2-amino-2-phenylacetate hydrogen chloride；(+/-)-phenylglycine methyl ester hydrochloride；(RS)-phenylglycine methyl ester hydrochloride
• CAS: 15028-40-7
• 化学式: C9H12ClNO2
• 分子量: 201.65
• InChiKey: DTHMTBUWTGVEFG-UHFFFAOYSA-N

物化性质

• 熔点：
  202 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.93
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  Methyl amino(phenyl)acetate hydrochloride (1:1) 生成 5-苯基海因
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  苄胺 生成 Methyl amino(phenyl)acetate hydrochloride (1:1)
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Oxidative Decarboxylation of α-Amino and α-Hydroxy Acids Using Copper(II) Bromide-Lithium tert-Butoxide
  作者：Takeshi Takeda、Satoshi Yamauchi、Tooru Fujiwara

  DOI：10.1055/s-1996-4267

  日期：1996.5

  α-Monoalkyl α-amino acids were oxidized to the corresponding alkanenitriles in good yields by treatment with copper(II) bromide-lithium tert-butoxide. The oxidation of α,α-disubstituted α-amino and α-hydroxy acids also gave the corresponding ketones.

  α-单烷基α-氨基酸经铜(II)溴化物-叔丁醇锂处理后，以良好产率氧化为相应的烷基腈。α,α-二取代的α-氨基酸和α-羟基酸的氧化也得到了相应的酮。
• HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK
  申请人：McCall John M.

  公开号：US20140128392A1

  公开（公告）日：2014-05-08

  Disclosed herein are new heterocyclic compounds of Formula IIa: and compositions thereof, and their application as pharmaceuticals for the treatment of disease. Methods of inhibiting PAS Kinase (PASK) activity in a human or animal subject are also provided for the treatment of diseases such as diabetes mellitus.

  本文披露了新的Formula IIa的杂环化合物及其组合物，以及它们作为治疗疾病的药物的应用。还提供了在人类或动物主体中抑制PAS激酶（PASK）活性的方法，用于治疗糖尿病等疾病。
• XY–ZH systems as potential 1,3-dipoles. Part 1. Background and scope
  作者：Ronald Grigg、H. Q. Nimal Gunaratne、James Kemp

  DOI：10.1039/p19840000041

  日期：——

  XY–ZH Systems are considered in general terms and divided into four classes according to the number of constituent atoms that possess lone-pair electrons. Those systems in which the central Y atom possesses a lone pair are shown to be capable of participating in formal 1,2-H shifts generating 1,3-dipolar species. The scope of the reaction, including its possible relevance to the biochemistry of pyridoxal

  X Y–ZH系统被视为通用术语，根据拥有孤对电子的组成原子的数量分为四类。中心Y原子具有孤对的那些系统显示出能够参与形成1,2-H移位的正式1,2-H移位，从而产生1,3-偶极物种。讨论了反应的范围，包括其可能与吡ido醛酶生物化学的相关性，并通过速率数据证明了一系列苯基甘氨酸和丙氨酸甲酯的芳基亚胺环加成N-苯基马来酰亚胺的速率对结构的影响。
• [EN] IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'IMIDAZOLINONE EN TANT QU'ANTAGONISTES DE RÉCEPTEURS CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2010077752A1

  公开（公告）日：2010-07-08

  The present invention is directed to imidazolinone derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及嘧啶啉酮衍生物，其为CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。该发明还涉及包含这些化合物的药物组合物，以及在预防或治疗涉及CGRP的这类疾病中使用这些化合物和组合物。
• Radical cyclization in heterocycle synthesis. Part 13: Sulfanyl radical addition–cyclization of oxime ethers and hydrazones connected with alkenes for synthesis of cyclic β-amino acids
  作者：Okiko Miyata、Kanami Muroya、Tomoko Kobayashi、Rina Yamanaka、Seiko Kajisa、Junko Koide、Takeaki Naito

  DOI：10.1016/s0040-4020(02)00412-x

  日期：2002.5

  combination of sulfanyl radical addition–cyclization of the oxime ethers and hydrazones connected with alkenes and subsequent conversion of a phenylsulfanylmethyl group to a carboxyl group provides a novel method for the construction of the cyclic β-amino acids. Upon treatment with thiophenol in the presence of AIBN, the oxime ethers and hydrazones smoothly underwent sulfanyl radical addition-cyclization

  硫醚基自由基加成－肟醚和与烯烃连接的的环化反应以及随后苯硫烷基甲基到羧基的转化提供了一种构造环状β-氨基酸的新方法。在AIBN存在下用苯硫酚处理后，使肟醚和平稳地进行硫烷基自由基加成-环化反应，得到2-（苯基硫烷基甲基）环烷基胺。该方法已成功应用于2-氨基环戊烷羧酸和4-氨基-3-吡咯烷羧酸的实际合成。