氨基甲酸庚酯 | 4248-20-8

• 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
• 中文名称: 氨基甲酸庚酯
• 英文名称: Carbamidsaeure-heptylester
• 英文别名: n-Heptanolcarbamat；carbamic acid heptyl ester；Heptylcarbamat；Carbamidsaeure-n-heptylester；Heptyl carbamate
• CAS: 4248-20-8
• 化学式: C₈H₁₇NO₂
• 分子量: 159.228
• InChiKey: AXMPFOXRWZXZFA-UHFFFAOYSA-N

物化性质

• 熔点：
  66°C
• 沸点：
  284.73°C (rough estimate)
• 密度：
  1.0469 (rough estimate)
• 保留指数：
  1267

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924199090

反应信息

• 作为产物：
  描述：

  正庚醇 、 氨基甲酸乙酯 在 tungsten(VI) oxide 作用下， 生成 氨基甲酸庚酯
  参考文献：
  名称：

  Mastagli; Francois, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1959, vol. 249, p. 134

  摘要：

  DOI：

文献信息

• [EN] BICYCLIC INHIBITORS OF PAD4<br/>[FR] INHIBITEURS BICYCLIQUES DE PAD4
  申请人：PADLOCK THERAPEUTICS INC

  公开号：WO2017100594A1

  公开（公告）日：2017-06-15

  The present invention provides compounds useful as inhibitors of PAD4, compositions thereof, and methods of treating PAD4-related disorders.

  本发明提供了用作PAD4抑制剂的化合物、其组合物以及治疗与PAD4相关疾病的方法。
• METHOD FOR PRODUCING TRANS-BIS(AMINOMETHYL)CYCLOHEXANE, METHOD FOR PRODUCING BIS(ISOCYANATOMETHYL)CYCLOHEXANE, BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, AND POLYURETHANE RESIN
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20160207875A1

  公开（公告）日：2016-07-21

  A method for producing trans-bis(aminomethyl)cyclohexane includes a trans-isomerization step in which cis-dicyanocyclohexane is isomerized into trans-dicyanocyclohexane by heating dicyanocyclohexane containing cis-dicyanocyclohexane in the presence of a tar component produced by distillation of dicyanocyclohexane; and an aminomethylation step in which trans-dicyanocyclohexane produced by the trans-isomerization step is allowed to contact with hydrogen to produce trans-bis(aminomethyl)cyclohexane.

  生产反式-双(氨甲基)环己烷的方法包括以下步骤：在一个反式异构化步骤中，通过加热含有顺-二氰基环己烷的二氰基环己烷，在二氰基环己烷的蒸馏产生的焦油组分的存在下，将顺-二氰基环己烷异构化为反-二氰基环己烷；以及在一个氨甲基化步骤中，通过让通过反式异构化步骤产生的反-二氰基环己烷与氢接触来产生反式-双(氨甲基)环己烷。
• PROCESS FOR PREPARING A CARBAMATE COMPOUND
  申请人：Yamamoto Yasuhito

  公开号：US20120302782A1

  公开（公告）日：2012-11-29

  There is provided a process for preparing a carbamate compound, which is easy and commercially advantageous in that a carbamate compound can be produced with high yield from an amine compound and a carbonate compound. A process for preparing a carbamate compound which comprises the step of reacting an amine compound which has at least one amino group per molecule wherein the amine compound is selected from the group consisting of an aliphatic amine which may be substituted by an alicyclic group or an aromatic group or which may be interrupted by an alicyclic group or an aromatic group, and an alicyclic amine which may be substituted by an aliphatic group, with a carbonate compound in the presence of at least one organic solvent selected from the group consisting of a saturated cyclic hydrocarbon, an unsaturated cyclic hydrocarbon, and a non-cyclic ether by using a hydrolase.

  提供了一种制备碳酸酯化合物的过程，该过程简单且具有商业优势，因为碳酸酯化合物可以从胺化合物和碳酸酯化合物高产率地生产出来。制备碳酸酯化合物的过程包括以下步骤：在至少每分子含有一个氨基团的胺化合物中选择一种胺化合物，所述胺化合物选自以下组合：可能被脂环族或芳香族取代的脂肪族胺或可能被脂环族或芳香族中断的脂肪族胺，以及可能被脂肪族取代的脂环族胺；将所述胺化合物与碳酸酯化合物在至少选择自饱和环烃、不饱和环烃和非环氧化物的有机溶剂中，在水解酶的作用下反应。
• Method for Producing Carbonyl Compund
  申请人：Shinohata Masaaki

  公开号：US20130178645A1

  公开（公告）日：2013-07-11

  A method for producing a carbonyl compound of the present invention comprises a step (X) of reacting a specific compound having a urea bond with a carbonic acid derivative having a carbonyl group (—C(═O)—) under heating at a temperature equal to or higher than the thermal dissociation temperature of the urea bond to obtain the carbonyl compound.

  本发明的生产羰基化合物的方法包括以下步骤（X）：将具有脲键的特定化合物与具有羰基（—C(═O)—）的碳酸衍生物在温度高于或等于脲键热解温度的条件下加热反应，以获得所述羰基化合物。
• METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：US20210179548A1

  公开（公告）日：2021-06-17

  The present invention provides a method for producing a carbamate that includes a step (1) and a step (2) described below: (1) a step of producing a compound (A) having a urea linkage, using an organic primary amine having at least one primary amino group per molecule and at least one compound selected from among carbon dioxide and carbonic acid derivatives, at a temperature lower than the thermal dissociation temperature of the urea linkage; and (2) a step of reacting the compound (A) with a carbonate ester to produce a carbamate.

  本发明提供了一种生产碳酸酯的方法，包括以下步骤：(1)通过使用每个分子至少含有一个一次氨基团的有机初级胺和碳酸气体或碳酸衍生物中选择的至少一种化合物，在低于尿素键热解温度的温度下，生产具有尿素键的化合物(A)；以及(2)将化合物(A)与碳酸酯反应以生产碳酸酯。