N-苄基-N-苯基氨基甲酸乙酯 | 610-43-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-苄基-N-苯基氨基甲酸乙酯
• 英文名称: N-Benzyl-N-phenyl-carbamidsaeureethylester
• 英文别名: N-Benzyl-N-ethoxycarbonyl-anilin；N-Benzyl-N-ethoxycarbonylanilin；benzyl-phenyl-carbamic acid ethyl ester；Benzyl-phenyl-carbamidsaeure-aethylester；Phenyl-benzyl-urethan；N-Benzyl-N-phenyl-carbaminsaeureaethylester；Ethyl benzyl(phenyl)carbamate；ethyl N-benzyl-N-phenylcarbamate
• CAS: 610-43-5
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: ATIPBKCFGLKIGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-苄基-N-苯基氨基甲酸乙酯 在 硝酸 作用下， 生成 benzyl-(4-nitro-phenyl)-carbamic acid ethyl ester
  参考文献：
  名称：

  Ryan; O'Donovan, 1922, vol. 17, p. 133 - 136

  摘要：

  DOI：
• 作为产物：
  描述：

  N-二苯尿烷 、 氯化苄 在 sodium hydride 、 xylene 作用下， 生成 N-苄基-N-苯基氨基甲酸乙酯
  参考文献：
  名称：

  Use of Sodium Hydride in Alkylation of Urethans

  摘要：

  DOI：

  10.1021/jo01354a011

文献信息

• Chemoselective Synthesis of Carbamates using CO₂as Carbon Source
  作者：Daniel Riemer、Pradipbhai Hirapara、Shoubhik Das

  DOI：10.1002/cssc.201600521

  日期：2016.8.9

  Synthesis of carbamates directly from amines using CO2 as the carbon source is a straightforward and sustainable approach. Herein, we describe a highly effective and chemoselective methodology for the synthesis of carbamates at room temperature and atmospheric pressure. This methodology can also be applied to protect the amino group in amino acids and peptides, and also to synthesize important pharmaceuticals

  使用CO 2作为碳源直接从胺合成氨基甲酸酯是一种简单而可持续的方法。在此，我们描述了一种在室温和大气压下合成氨基甲酸酯的高效且化学选择性的方法。该方法还可用于保护氨基酸和肽中的氨基，也可用于合成重要的药物。
• Discovery of novel 8-azoniabicyclo[3.2.1]octane carbamates as muscarinic acetylcholine receptor antagonists
  作者：Dramane I. Lainé、Haibo Xie、Noémie Buffet、James J. Foley、Peter Buckley、Edward F. Webb、Katherine L. Widdowson、Michael R. Palovich、Kristen E. Belmonte

  DOI：10.1016/j.bmcl.2007.09.071

  日期：2007.11

  In the course of our research program to develop novel muscarinic receptor antagonists for the treatment of COPD, new tropane carbamate derivatives were identified as potent anti-muscarinic agents. The synthesis, structure-activity relationships and pharmacological evaluation that led to the identification of compound 5o, are described.

  在我们开发用于治疗COPD的新型毒蕈碱受体拮抗剂的研究计划过程中，新的托烷氨基甲酸酯衍生物被确定为有效的抗毒蕈碱剂。描述了导致化合物5o鉴定的合成，构效关系和药理学评估。
• Carbamates derivatived from arylakylamines
  申请人：——

  公开号：US20040063950A1

  公开（公告）日：2004-04-01

  The invention relates to carbamates having general structure (I), wherein: R1, R2 and R3 are H, OH, SH, CN, F, Cl, Br, I, (C 1 -C 4 )-alkylthio, (C 1 -C 4 )-alkoxyl, (C 1 -C 4 )-alkoxyl substituted by one or several F radicals, carbamoylamine, (C 1 -C 4 )-alkyl and (C 1 -C 4 )-alkyl substituted by one or several F or OH radicals; R4 represents a substituted or non-substituted cycloalkyl or cycloaryl radical (a heteroalkyl radical or not). The amine of the quinuclidine ring can also be forming quatemary ammonium salts or in an oxidized state (N-oxide). Carbamates (I) are antagonists of the M 3 muscarinic receptor, and selectively, the M 2 receptor. Hence, they can be used in the treatment of urinary incontinence (particularly due to bladder instability), irritable bowel syndrome, diseases of the respiratory tract (particularly chronic obstructive pulmonary disease, chronic bronchitis, asthma, emphysema and rhinitis) and in ophthalmologic operations.

  本发明涉及具有一般结构（I）的氨基甲酸酯，其中：R1、R2和R3分别为H、OH、SH、CN、F、Cl、Br、I、（C1-C4）-烷基硫醚、（C1-C4）-烷氧基、被一种或几种F基团取代的（C1-C4）-烷氧基、氨基甲酰胺、（C1-C4）-烷基和被一种或几种F或OH基团取代的（C1-C4）-烷基；R4代表取代或非取代的环烷基或环芳基基团（杂环烷基或非杂环烷基）。喹硷环的胺也可以形成季铵盐或氧化态（N-氧化物）。氨基甲酸酯（I）是M3胆碱能受体的拮抗剂，且具有选择性作用于M2受体。因此，它们可以用于治疗尿失禁（特别是由于膀胱不稳定引起的）、肠易激综合征、呼吸道疾病（特别是慢性阻塞性肺疾病、慢性支气管炎、哮喘、肺气肿和鼻炎）以及眼科手术。
• Carbamates derived from arylalkylamines
  申请人：LABORATORIOS S.A.L.V.A.T., S.A.

  公开号：US20040235887A1

  公开（公告）日：2004-11-25

  The invention relates to carbamates having general structure (I), wherein: R1, R2 and R3 are H, OH, SH, CN, F, Cl, Br, I, (C 1 -C 4 )-alkylthio, (C 1 -C 4 )-alkoxyl, (C 1 -C 4 )-alkoxyl substituted by one or several F radicals, carbamoylamine, (C 1 -C 4 )alkyl and (C 1 -C 4 )alkyl substituted by one or several F or OH radicals; R4 represents a substituted or non-substituted cycloalkyl or cycloaryl radical (a heteroalkyl radical or not). The amine of the quinuclidine ring can also be forming quaternary ammonium salts or in an oxidized state (N-oxide). Carbamates (I) are antagonists of the M 3 muscarinic receptor, and selectively, the M 2 receptor. Hence, they can be used in the treatment of urinary incontinence (particularly due to bladder instability), irritable bowel syndrome, diseases of the respiratory tract (particularly chronic obstructive pulmonary disease, chronic bronchitis, asthma, emphysema and rhinitis) and in ophthalmologic operations.

  本发明涉及具有一般结构（I）的氨基甲酸酯，其中：R1，R2和R3为H，OH，SH，CN，F，Cl，Br，I，（C1-C4）-烷基硫醚，（C1-C4）-烷氧基，（C1-C4）-烷氧基被一个或多个F基团取代的，氨基甲酰胺，（C1-C4）烷基和被一个或多个F或OH基团取代的（C1-C4）烷基; R4代表取代或未取代的环烷基或环芳基基团（杂环烷基或不是）。喹诺啡环的胺也可以形成季铵盐或氧化态（N-氧化物）。氨基甲酸酯（I）是M3肌动蛋白受体的拮抗剂，且具有选择性，对M2受体具有选择性。因此，它们可以用于治疗尿失禁（尤其是由膀胱不稳定引起的），肠易激综合征，呼吸道疾病（尤其是慢性阻塞性肺疾病，慢性支气管炎，哮喘，肺气肿和鼻炎）和眼科手术。
• 1-Alkyl-1-azoniabicyclo' 2.2.!octane carbamate derivatives and their use as muscarinic receptor antagonists
  申请人：Catena Ruiz Lorenzo Juan

  公开号：US20050043349A1

  公开（公告）日：2005-02-24

  Carbamate of general formula (I), wherein R1, R2, and R3 are H, OH, NO 2 , SH, CN, F, Cl, Br, I, COOH, CONH 2 , (C 1 -C 4 )-alkoxycarbonyl, (C 1 -C 4 )-alkylsulfanyl, (C 1 -C 4 )-alkylsulfinyl, (C 1 -C 4 )-alkylsulfonyl, (C 1 -C 4 )-alkoxyl optionally substituted with one or several F, and (C 1 -C 4 )-alkyl optionally substituted with one or several F or OH; R4 is cycloalkyl, phenyl, heteroaryl or a bicyclic ring system; R5 is cycloalkyl, (C 5 -C 10 )-alkyl, a substituted (C 1 -C 10 )-alkyl; and X − is a physiologically acceptable anion. Carbamate (I) is selective M 3 receptor antagonists versus M 2 receptor and may be used for the treatment of urinary incontinence (particularly, the one caused by overactive bladder), irritable bowel syndrome, and respiratory disorders (particularly, chronic obstructive pulmonary disease, chronic bronchitis, asthma, emphysema, and rhinitis), as well as in ophthalmic interventions.

  通式（I）的氨基甲酸酯，其中R1，R2和R3为H，OH，NO2，SH，CN，F，Cl，Br，I，COOH，CONH2，（C1-C4）-烷氧基羰基，（C1-C4）-烷基硫基，（C1-C4）-烷基亚砜基，（C1-C4）-烷基磺酰基，（C1-C4）-烷氧基可选地取代一个或多个F，以及（C1-C4）-烷基可选地取代一个或多个F或OH; R4是环烷基，苯基，杂环芳基或双环环系统; R5是环烷基，（C5-C10）-烷基，取代的（C1-C10）-烷基; X-是生理上可接受的阴离子。氨基甲酸酯（I）是选择性M3受体拮抗剂，对M2受体具有较高的选择性，可用于治疗尿失禁（尤其是由过度活跃的膀胱引起的），肠易激综合征和呼吸系统疾病（尤其是慢性阻塞性肺疾病，慢性支气管炎，哮喘，肺气肿和鼻炎），以及眼科干预。