n-Dodecanoyloxymethyltriethylammonium chloride | 61413-64-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: n-Dodecanoyloxymethyltriethylammonium chloride
• 英文别名: N-[(Dodecanoyloxy)methyl]-N,N-diethylethanaminium chloride；dodecanoyloxymethyl(triethyl)azanium;chloride
• CAS: 61413-64-7
• 化学式: C₁₉H₄₀NO₂*Cl
• 分子量: 349.985
• InChiKey: CSSYASXDTUAAGY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  23
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氯甲基月桂酸酯 在 三乙胺 作用下， 以 calcium sulfate 为溶剂， 生成 n-Dodecanoyloxymethyltriethylammonium chloride
  参考文献：
  名称：

  Soft quaternary surface active agents exhibiting antibacterial activity

  摘要：

  具有以下公式的软性四元表面活性剂：##EQU1## 其中##EQU2##表示三级开链或环状脂肪族胺；其中##EQU3##表示芳香胺；其中R表示从羟基原子，C.sub.1-C.sub.20开链或环状烷基，C.sub.1-C.sub.20烷氧基烷基，C.sub.1-C.sub.20乙酰氧基烷基，C.sub.1-C.sub.20卤代烷基，C.sub.1-C.sub.20羧基烷基，芳基和取代芳基中选择的成员，其取代基选择自卤原子，O-C.sub.1-C.sub.4烷基，O-C.sub.1-C.sub.8酰基，硝基，羧基和羧乙酰基；其中R.sub.1表示C.sub.9-C.sub.22直链或支链烷基，##EQU4##其中R.sub.3，R.sub.4，R.sub.5和R.sub.6各自选择自羟基原子，甲基基团或乙基基团，C.sub.0-C.sub.22直链或支链##SPC1##基团，其中每次n和m表示0到22的整数，##SPC2##基团，其中A表示如上所述的C.sub.0-C.sub.22直链或支链烷基或-(CH.sub.2 CH.sub.2 O).sub.p基团，其中p表示0到22的整数，并且任何天然胆汁酸或其合成衍生物的残基；其中X表示卤原子或任何其他有机或无机运动阴离子。上述通用式所包含的所有化合物均可用作极低毒性的“软性”抗菌剂。

  公开号：

  US03989711A1

文献信息

• Soft quaternary surface active agents and method of using same
  申请人：Interx Research Corporation

  公开号：US04204065A1

  公开（公告）日：1980-05-20

  Soft quaternary surface active agents having the formula: ##STR1## wherein >N represents a tertiary open chain or cyclic aliphatic amine; wherein >N represents an unsaturated amine; wherein R represents a member selected from the group consisting of a hydrogen atom, a C.sub.1 -C.sub.20 open chain or cyclo alkyl group, a C.sub.1 -C.sub.20 alkoxyalkyl group, a C.sub.1 -C.sub.20 acyloxyalkyl group, a C.sub.1 -C.sub.20 haloalkyl group, a C.sub.1 -C.sub.20 carboxyalkyl group, an aryl group, and a substituted aryl group, whose substituents are selected from the group consisting of a halogen atom, an O--C.sub.1 -C.sub.4 alkyl group, an O--C.sub.1 -C.sub.8 acyl group, a nitro group, a carboxyl group, and a carboethoxy group; wherein R.sub.1 represents a C.sub.9 -C.sub.22 straight or branched alkyl group, a --(CH.sub.2).sub.n -- ##STR2## group, wherein R.sub.3, R.sub.4, R.sub.5 and R.sub.6 are each selected from the group consisting of a hydrogen atom, a methyl group or an ethyl group, a C.sub.0 -C.sub.22 straight or branched alkyl-(CH.sub.2).sub.n ##STR3## (CH.sub.2).sub.m CH.sub.3 group, wherein n in each occurrence and m represents an integer of from 0 to 22, an A-CH.sub.2 ##STR4## CH.sub.2 -A-CH.sub.3 group, wherein A represents a C.sub.0 -C.sub.22 straight or branched alkyl group as above or a --(CH.sub.2 CH.sub.2 O) group, wherein the p represents an integer of from 0 to 22, and the residue of any naturally occurring bile acid or synthetic derivative thereof; and wherein X represents a halogen atom or any other organic or inorganic monovalent anion are disclosed. All compounds encompassed within the above-described generic formulae find use as "soft" antibacterial agents of extremely low toxicity.

  具有以下式子的软性四元表面活性剂：##STR1## 其中> N代表三级开链或环状脂肪族胺；其中> N代表不饱和胺；其中R代表从羟基原子，C.sub.1-C.sub.20开链或环状烷基，C.sub.1-C.sub.20烷氧基烷基，C.sub.1-C.sub.20酰氧基烷基，C.sub.1-C.sub.20卤代烷基，C.sub.1-C.sub.20羧基烷基，芳基和取代芳基中选择的成员，其取代基选择自卤原子，O--C.sub.1-C.sub.4烷基，O--C.sub.1-C.sub.8酰基，硝基，羧基和羧乙氧基；其中R.sub.1代表C.sub.9-C.sub.22直链或支链烷基，--(CH.sub.2).sub.n--##STR2##群，其中R.sub.3，R.sub.4，R.sub.5和R.sub.6分别选择自氢原子，甲基基团或乙基基团，C.sub.0-C.sub.22直链或支链烷基-(CH.sub.2).sub.n ##STR3## (CH.sub.2).sub.m CH.sub.3群，其中n在每次出现时和m代表0至22的整数，A-CH.sub.2 ##STR4## CH.sub.2 -A-CH.sub.3群，其中A代表如上所述的C.sub.0-C.sub.22直链或支链烷基或--(CH.sub.2 CH.sub.2 O)群，其中p代表0至22的整数，以及任何自然存在的胆酸或其合成衍生物的残基；其中X代表卤原子或任何其他有机或无机单价阴离子。上述通用公式所包含的所有化合物均可用作极低毒性的“软性”抗菌剂。
• Soft quaternary surface active agents
  申请人：Merck & Co., Inc.

  公开号：US04313889A1

  公开（公告）日：1982-02-02

  Soft quaternary surface active agents having the formula: ##STR1## wherein ##STR2## represents a tertiary open chain or cyclic aliphatic amine; wherein ##STR3## represents an unsaturated amine; wherein R represents a member selected from the group consisting of a hydrogen atom, a C.sub.1 -C.sub.20 open chain or cyclo alkyl group, a C.sub.1 -C.sub.20 alkoxyalkyl group, a C.sub.1 -C.sub.20 acyloxyalkyl group, a C.sub.1 -C.sub.20 haloalkyl group, a C.sub.1 -C.sub.20 carboxyalkyl group, an aryl group, and a substituted aryl group, whose substituents are selected from the group consisting of a halogen atom, an O--C.sub.1 -C.sub.4 alkyl group, an O--C.sub.1 -C.sub.8 acyl group, a nitro group, a carboxyl group, and a carboethoxy group; wherein R.sub.1 represents a C.sub.9 -C.sub.22 straight or branched alkyl group, a --(CH.sub.2).sub.n -- ##STR4## wherein R.sub.3, R.sub.4, R.sub.5 and R.sub.6 are each selected from the group consisting of a hydrogen atom, a methyl group or an ethyl group, a C.sub.0 -C.sub.22 straight or branched alkyl ##STR5## wherein n in each occurrence and m represent an integer of from 0 to 22, an ##STR6## wherein A represents a C.sub.0 -C.sub.22 straight or branched alkyl group as above or a --(CH.sub.2 CH.sub.2 O).sub.p group, wherein the p represents an integer of from 0 to 22, and the residue of any naturally occurring bile acid or synthetic derivative thereof; and wherein X represents a halogen atom or any other organic or inorganic monovalent anion are disclosed. All compounds encompassed within the above-described generic formulae find use as "soft" antibacterial agents of extremely low toxicity.

  具有以下公式的软性四元表面活性剂：##STR1## 其中##STR2##代表三级开链或环状脂肪族胺；其中##STR3##代表不饱和胺；其中R代表从羟基原子，C.sub.1-C.sub.20开链或环状烷基，C.sub.1-C.sub.20烷氧基烷基，C.sub.1-C.sub.20酰氧基烷基，C.sub.1-C.sub.20卤代烷基，C.sub.1-C.sub.20羧基烷基，芳基和取代芳基中选择的成员，其取代基从卤原子，O--C.sub.1-C.sub.4烷基，O--C.sub.1-C.sub.8酰基，硝基，羧基和羧乙氧基中选择；其中R.sub.1代表C.sub.9-C.sub.22直链或支链烷基，--(CH.sub.2).sub.n--##STR4##其中R.sub.3，R.sub.4，R.sub.5和R.sub.6分别选择来自氢原子，甲基基团或乙基基团，C.sub.0-C.sub.22直链或支链烷基##STR5##其中每次的n和m代表0到22的整数，##STR6##其中A代表如上所述的C.sub.0-C.sub.22直链或支链烷基或--(CH.sub.2 CH.sub.2 O).sub.p基团，其中p代表0到22的整数，以及任何自然存在的胆酸或其合成衍生物的残基；而X代表卤原子或任何其他有机或无机单价阴离子。上述通用公式所包含的所有化合物均可用作极低毒性的“软性”抗菌剂。
• US3989711A
  申请人：——

  公开号：US3989711A

  公开（公告）日：1976-11-02
• US4046899A
  申请人：——

  公开号：US4046899A

  公开（公告）日：1977-09-06
• US4120959A
  申请人：——

  公开号：US4120959A

  公开（公告）日：1978-10-17