decanoic acid bromide | 49791-22-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: decanoic acid bromide
• 英文别名: Caprinsaeurebromid；Decanoyl bromide
• CAS: 49791-22-2
• 化学式: C₁₀H₁₉BrO
• 分子量: 235.164
• InChiKey: BIIPHRRRSVZMLK-UHFFFAOYSA-N

物化性质

• 沸点：
  259.1±8.0 °C(Predicted)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  正癸酸 在 aluminum oxide 、 三溴化硼 作用下， 以 苯 为溶剂， 反应 20.0h， 以64%的产率得到decanoic acid bromide
  参考文献：
  名称：

  The conversion of carboxylic acids into acid bromides on BBr3-modified alumina

  摘要：

  Carboxylic acids are converted into acid bromides on alumina which has been modified with boron tribromide. A different reaction occurs in solution.

  DOI：

  10.1016/s0040-4039(00)60799-2

文献信息

• PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20210198172A1

  公开（公告）日：2021-07-01

  The present invention provides a process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond of the following formula (4): H—C≡C(CH 2 ) a OCH 2 OCH 2 R (4), wherein R represents a hydrogen atom, an n-alkyl group having 1 to 9 carbon atoms, or a phenyl group, and “a” represents an integer of 1 to 10, the method comprising subjecting an alkynol compound having a terminal triple bond of the following formula (1): H—C≡C(CH 2 ) a OH (1), wherein “a” is as defined above, to an alkoxymethylation with a halomethyl alkyl ether compound of the following formula (3): RCH 2 OCH 2 X (3), wherein X represents a halogen atom, and R is as defined above, in the presence of a dialkylaniline compound of the following formula (2): [CH 3 (CH 2 ) b ][CH 3 (CH 2 ) c ]NC 6 H 5 (2), wherein b and c represent, independently of each other, an integer of 0 to 9, to form the alkoxymethyl alkynyl ether compound (4) having a terminal triple bond.

  本发明提供了一种制备具有以下式(4)的末端三键的烷氧甲基炔基醚化合物的方法：H—C≡C(CH2)aO O R (4)，其中R代表氢原子、具有1至9个碳原子的n-烷基基团或苯基，而“a”代表1至10的整数，所述方法包括将具有以下式(1)末端三键的炔醇化合物进行烷氧甲基化，其中H—C≡C( )aOH (1)，其中“a”如上所定义，与具有以下式(3)的卤甲基烷醚化合物进行反应：R O X (3)，其中X代表卤素原子，R如上所定义，在存在以下式(2)的二烷基苯胺化合物的情况下进行，[CH3( )b][CH3( )c]NC6H5(2)，其中b和c独立地代表0至9的整数，以形成具有末端三键的烷氧甲基炔基醚化合物(4)。
• Method for racemization of optically active chrysanthemic acid or its derivatives
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0299760A1

  公开（公告）日：1989-01-18

  Optically active chrysanthemic acid or its derivatives of the formula (wherein X represents a hydroxyl group, a halogen atom, a C₁₋₂₀ alkoxy group or a 2,2-dimethyl-3-isobutenyl-­cyclopropane carboxyl group and * mark shows asymmetric carbon atom) is racemized by allowing it to react with a bromine compound or a SH compound, in the presence of light.

  光学活性菊酸或其衍生物，其式为 (其中 X 代表羟基、卤素原子、C₁₋₂₀烷氧基或 2,2-二甲基-3-异丁烯基环丙烷羧基，* 标记表示不对称碳原子）在光照下与溴化合物或 SH 化合物反应，使其发生外消旋化。
• Method for racemization of optically active chrysanthemic acid or its ester
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0282221A2

  公开（公告）日：1988-09-14

  Racemization of an optically active chrysan­themic acid or its ester of the formula: wherein R represents a hydrogen atom, an alkyl group of 1-20 carbon atoms, a cycloalkyl group of 3-20 carbon atoms or an aralkyl group of 7-20 carbon atoms and * mark indicates asymmetric carbon atom, is effected by contacting the acid or its ester with at least one compound selected from the group consisting of a carboxylic acid bromide, a silicon bromide, an S-bromine compound, and N-bromine compound, a halo-bromine compound and an SH compound in the presence of a peroxide or an azo compound.

  式中具有光学活性的菊酸或其酯的外消旋化： 其中 R 代表氢原子、1-20 个碳原子的烷基、3-20 个碳原子的环烷基或 7-20 个碳原子的芳烷基，* 标记表示不对称碳原子，在过氧化物或偶氮化合物存在下，将该酸或其酯与至少一种选自羧酸溴化物、硅溴化物、S-溴化合物、N-溴化合物、卤代溴化合物和 SH 化合物的化合物接触。
• Method for racemization of optically active chrysanthemic acid derivatives
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0289324A1

  公开（公告）日：1988-11-02

  Racemization of an optically active chrysanthemic acid derivatives of the formula: wherein X represents a chlorine atom, bromine atom or 2,2-dimethyl-3-isobutenyl-cyclopropane carboxyl group and * mark represents asymmetric carbon atom, is effected by contacting the acid derivatives with at least one compound selected from the group consisting of hydrogen bromide, a carboxylic acid bromide, an N-bromine compound, an S-bromine compound, a halo-­bromine compound, a silicon-bromide compound, a phosphorus-bromide compound and an SH compound in the presence of a peroxide or an azo compound.

  式中光学活性菊酸衍生物的消旋化： 其中 X 代表氯原子、溴原子或 2,2-二甲基-3-异丁烯基-环丙烷羧基， * 标记代表不对称碳原子，将酸衍生物与至少一种选自由溴化氢、羧酸溴化物、N-溴化合物、S-溴化合物、卤代溴化合物组成的组中的化合物接触、羧酸溴化物、N-溴化合物、S-溴化合物、卤代溴化合物、硅-溴化合物、磷-溴化合物和 SH 化合物组成的组中的至少一种化合物在过氧化物或偶氮化合物存在下进行接触。
• Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US11384041B2

  公开（公告）日：2022-07-12

  The present invention provides a process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond of the following formula (4): H—C≡C(CH2)aOCH2OCH2R (4), wherein R represents a hydrogen atom, an n-alkyl group having 1 to 9 carbon atoms, or a phenyl group, and “a” represents an integer of 1 to 10, the method comprising subjecting an alkynol compound having a terminal triple bond of the following formula (1): H—C≡C(CH2)aOH (1), wherein “a” is as defined above, to an alkoxymethylation with a halomethyl alkyl ether compound of the following formula (3): RCH2OCH2X (3), wherein X represents a halogen atom, and R is as defined above, in the presence of a dialkylaniline compound of the following formula (2): [CH3(CH2)b][CH3(CH2)c]NC6H5 (2), wherein b and c represent, independently of each other, an integer of 0 to 9, to form the alkoxymethyl alkynyl ether compound (4) having a terminal triple bond.

  本发明提供了一种制备具有下式(4)末端三键的烷氧基甲基炔基醚化合物的工艺：H-C≡C(CH2)aO O R(4)，其中 R 代表氢原子、具有 1 至 9 个碳原子的正烷基或苯基，且 "a "代表 1 至 10 的整数，该方法包括使具有下式(1)的末端三键的炔醇化合物：H-C≡C( )aOH(1)，其中 "a "如上定义，用下式(3)的卤代甲基烷基醚化合物进行烷氧基甲基化：R O X(3)，其中 X 代表卤素原子，R 如上定义，在下式(2)的二烷基苯胺化合物存在下进行烷氧基甲基化：[CH3( )b][CH3( )c]NC6H5(2)，其中 b 和 c 各自代表 0 至 9 的整数，形成具有末端三键的烷氧基甲基炔基醚化合物 (4)。