1-溴-4-异戊基硫代苯 | 76542-20-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 1-溴-4-异戊基硫代苯
• 英文名称: (4-bromo-phenyl)-isopentyl sulfide
• 英文别名: (4-Brom-phenyl)-isopentyl-sulfid；Isoamyl-(4-brom-phenyl)-sulfid；4-Bromophenyl 3-methylbutyl sulfide；4-[(3-methyl)butylthio] bromobenzene；1-Bromo-4-isopentylthiobenzene；1-bromo-4-(3-methylbutylsulfanyl)benzene
• CAS: 76542-20-6
• 化学式: C₁₁H₁₅BrS
• 分子量: 259.21
• InChiKey: XVMXDMPDHXQXJB-UHFFFAOYSA-N

物化性质

• 沸点：
  141 °C(Press: 3 Torr)
• 密度：
  1.2803 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2930909090

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 水 、 potassium bromide 、 copper(I) bromide 作用下， 生成 1-溴-4-异戊基硫代苯
  参考文献：
  名称：

  Holt; Reid, Journal of the American Chemical Society, 1924, vol. 46, p. 2336

  摘要：

  DOI：

文献信息

• Alkyl, alkoxy and thioalkoxy substituted diphenyl acetylenes having
  申请人：Allergan, Inc.

  公开号：US05202471A1

  公开（公告）日：1993-04-13

  Retinoid like activity is exhibited by compounds of the formula ##STR1## where R.sub.1 -R.sub.4 independently are hydrogen, lower alkyl, cycloalkyl or lower alkenyl, A and B independently are hydrogen, lower alkyl cycloalkyl, lower alkenyl, SR* or OR* where R* is lower alkyl, cycloalkyl or lower alkenyl; Y is lower alkenyl, lower alkynyl, lower cycloalkyl, lower branched chain alkyl or (CH.sub.2).sub.n where n is 0-6; and Z is H, --COOH or a pharmaceutically acceptable salt, ester or amide thereof, --CH.sub.2 OH or an ether or ester derivative, or --CHO or an acetal derivative, or --COR' or a ketal derivative where R' is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons.

  化合物的结构式为##STR1##，其中R.sub.1 -R.sub.4独立地是氢、较低的烷基、环烷基或较低的烯基，A和B独立地是氢、较低的烷基、环烷基、较低的烯基、SR*或OR*，其中R*是较低的烷基、环烷基或较低的烯基；Y是较低的烯基、较低的炔基、较低的环烷基、较低的支链烷基或(CH.sub.2).sub.n，其中n为0-6；Z是H、--COOH或其药用可接受的盐、酯或酰胺，--CH.sub.2 OH或醚或酯衍生物，或--CHO或缩醛衍生物，或--COR'或缩酮衍生物，其中R'是含有1至5个碳的烷基、环烷基或烯基基团。
• Acetylenes disubstituted with a pyridinyl group and a substituted phenyl
  申请人：Allergan, Inc.

  公开号：US05013744A1

  公开（公告）日：1991-05-07

  Retinold like activity is exhibited by compounds of the formula ##STR1## where R.sub.1 -R.sub.3 independently are hydrogen, lower alkyl, cycloalkyl or lower alkenyl, A and B independently are hydrogen, lower alkyl, cycloalkyl, lower alkenyl, SR.sub.4 or OR.sub.4 where R.sub.4 is lower alkyl, cycloalkyl or lower alkenyl; Y is pyridyl; E is lower alkenyl, lower alkynyl, lower cycloalkyl, lower branched chain alkyl, or is characterized by the formula (CH.sub.2).sub.n where n is 0-5, and Z is H, OH, OR.sub.5, OCOR.sub.5, --COOH or a pharmaceutically acceptable salt, ester or amide thereof, --CH.sub.2 OH, CH.sub.2 OR.sub.6, CH.sub.2 OCOR.sub.6, or --CHO, CH(OR.sub.7).sub.2, CHOR.sub.8 O, or COR.sub.9, CR.sub.9 (OR.sub.7).sub.2, CR.sub.9 OR.sub.8 O where R.sub.5 is lower alkyl, phenyl or lower alkylphenyl, R.sub.6 is lower alkyl, phenyl or lower alkylphenyl, R.sub.7 is lower alkyl, R.sub.8 is a divalent alkyl radical of 2-5 carbons, and R.sub.9 is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons.

  化合物的公式为##STR1##，其中R.sub.1 -R.sub.3独立地是氢、较低的烷基、环烷基或较低的烯基，A和B独立地是氢、较低的烷基、环烷基、较低的烯基、SR.sub.4或OR.sub.4，其中R.sub.4是较低的烷基、环烷基或较低的烯基；Y是吡啶基；E是较低的烯基、较低的炔基、较低的环烷基、较低的支链烷基，或者由公式(CH.sub.2).sub.n表示，其中n为0-5，Z是H、OH、OR.sub.5、OCOR.sub.5、--COOH或其药学上可接受的盐、酯或酰胺，--CH.sub.2 OH、CH.sub.2 OR.sub.6、CH.sub.2 OCOR.sub.6，或--CHO、CH(OR.sub.7).sub.2、CHOR.sub.8 O，或COR.sub.9，CR.sub.9 (OR.sub.7).sub.2，CR.sub.9 OR.sub.8 O，其中R.sub.5是较低的烷基、苯基或较低的烷基苯基，R.sub.6是较低的烷基、苯基或较低的烷基苯基，R.sub.7是较低的烷基，R.sub.8是含有2-5个碳的二价烷基基团，R.sub.9是含有1到5个碳的烷基、环烷基或烯基基团。
• Acetylenes disubstituted with a heteroaromatic group and a substituted
  申请人：Allergan, Inc.

  公开号：US05175185A1

  公开（公告）日：1992-12-29

  Retinoid like activity is exhibited by compounds of the formula ##STR1## R.sub.1 -R.sub.3 independently are hydrogen, lower alkyl, cycloalkyl or lower alkenyl, A and A.sub.1 independently are hydrogen, lower alkyl, cycloalkyl, lower alkenyl, SR.sub.4 or OR.sub.4 where R.sub.4 is lower alkyl, cycloalkyl or lower alkenyl; Y is selected from a group consisting of thienyl, furyl, pyridazinyl, pyrimidinyl, pyrazinyl, thiazolyl or oxazolyl; E is lower alkenyl, lower alkynyl, lower cycloalkyl, lower branched chain alkyl, or is characterized by the formula (CH.sub.2).sub.n where n is 0-5, and Z is H, OH, OR.sub.5, OCOR.sub.5, --COOH or a pharmaceutically acceptable salt, ester or amide thereof, --CH.sub.2 OH, CH.sub.2 OR.sub.6, CH.sub.2 OCOR.sub.6, or --CHO, CH(OR.sub.7).sub.2, CHOR.sub.8 O, or COR.sub.9, CR.sub.9 (OR.sub.7).sub.2, CR.sub.9 OR.sub.8 O where R.sub.5 is lower alkyl, phenyl or lower alkylphenyl, R.sub.6 is lower alkyl, phenyl or lower alkylphenyl, R.sub.7 is lower alkyl, R.sub.8 is a divalent alkyl radical of 2-5 carbons, and R.sub.9 is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons.

  化合物的分子式为##STR1##，具有类似视黄醇的活性。其中，R.sub.1-R.sub.3独立地为氢、较低烷基、环烷基或较低烯基；A和A.sub.1独立地为氢、较低烷基、环烷基、较低烯基、SR.sub.4或OR.sub.4，其中R.sub.4为较低烷基、环烷基或较低烯基；Y从噻吩基、呋喃基、吡嗪基、嘧啶基、吡咯嗪基、噻唑基或噁唑基中选择；E为较低烯基、较低炔基、较低环烷基、较低支链烷基，或由公式(CH.sub.2).sub.n表示，其中n为0-5；Z为H、OH、OR.sub.5、OCOR.sub.5、--COOH或其药学可接受的盐、酯或酰胺，--CH.sub.2 OH、CH.sub.2 OR.sub.6、CH.sub.2 OCOR.sub.6或--CHO，CH(OR.sub.7).sub.2、CHOR.sub.8 O或COR.sub.9，CR.sub.9(OR.sub.7).sub.2、CR.sub.9OR.sub.8 O，其中R.sub.5为较低烷基、苯基或较低烷基苯基，R.sub.6为较低烷基、苯基或较低烷基苯基，R.sub.7为较低烷基，R.sub.8为2-5碳的二价烷基基团，R.sub.9为含1-5个碳的烷基、环烷基或烯基基团。
• Acetylenes disubstituted with a thiazole group and a substituted phenyl
  申请人：Allergan, Inc.

  公开号：US05414007A1

  公开（公告）日：1995-05-09

  Retinoid like activity is exhibited by compounds of the formula ##STR1## where R.sub.1 -R.sub.3 independently are hydrogen, lower alkyl, cycloalkyl or lower alkenyl, A and B independently are hydrogen, lower alkyl, cycloalkyl, lower alkenyl, SR.sub.4 or OR.sub.4 where R.sub.4 is lower alkyl, cycloalkyl or lower alkenyl; Y is selected from a group consisting of pyridazinyl, pyrimidinyl, pyrazinyl, thiazolyl or oxazolyl; E is lower alkenyl, lower alkynyl, lower cycloalkyl, lower branched chain alkyl, or is characterized by the formula (CH.sub.2).sub.n where n is 0-5, and Z is H, OH, OR.sub.5, OCOR.sub.5, --COOH or a pharmaceutically acceptable salt, ester or amide thereof, --CH.sub.2 OH, CH.sub.2 OR.sub.6, CH.sub.2 OCOR.sub.6, or --CHO, CH(OR.sub.7).sub.2, CHOR.sub.8 O, or COR.sub.9, CR.sub.9 (OR.sub.7).sub.2, CR.sub.9 OR.sub.8 O where R.sub.5 is lower alkyl, phenyl or lower alkylphenyl, R.sub.6 is lower alkyl, phenyl or lower alkylphenyl, R.sub.7 is lower alkyl, R.sub.8 is a divalent alkyl radical of 2-5 carbons, and R.sub.9 is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons.

  化合物的结构式为##STR1##，其中R.sub.1-R.sub.3独立地为氢、低碳基、环烷基或低烯基，A和B独立地为氢、低碳基、环烷基、低烯基、SR.sub.4或OR.sub.4，其中R.sub.4为低碳基、环烷基或低烯基；Y选自吡啶啉基、嘧啶啉基、吡嗪基、噻唑基或噁唑基的群；E为低烯基、低炔基、低环烷基、低支链烷基，或由式(CH.sub.2).sub.n表示，其中n为0-5，Z为H、OH、OR.sub.5、OCOR.sub.5、--COOH或其药学上可接受的盐、酯或酰胺，--CH.sub.2 OH、CH.sub.2 OR.sub.6、CH.sub.2 OCOR.sub.6或--CHO，CH(OR.sub.7).sub.2、CHOR.sub.8 O或COR.sub.9，CR.sub.9(OR.sub.7).sub.2、CR.sub.9OR.sub.8 O，其中R.sub.5为低碳基、苯基或低碳基苯基，R.sub.6为低碳基、苯基或低碳基苯基，R.sub.7为低碳基，R.sub.8为2-5碳原子的二价烷基基团，R.sub.9为含有1至5个碳原子的烷基、环烷基或烯基基团。
• Acetylenes disubstituted with a furyl group and a substituted phenyl
  申请人：Allergan, Inc.

  公开号：US05264456A1

  公开（公告）日：1993-11-23

  Retinoid like activity is exhibited by compounds of the formula ##STR1## where R.sub.1 -R.sub.3 independently are hydrogen, lower alkyl, cycloalkyl or lower alkenyl, A and B independently are hydrogen, lower alkyl, cycloalkyl, lower alkenyl, SR.sub.4 or OR.sub.4 where R.sub.4 is lower alkyl, cycloalkyl or lower alkenyl; Y is selected from a group consisting of furyl, pyridazinyl, pyrimidinyl, pyrazinyl, thiazolyl or oxazolyl; E is lower alkenyl, lower alkynyl, lower cycloalkyl, lower branched chain alkyl, or is characterized by the formula (CH.sub.2).sub.n where n is 0-5, and Z is H, OH, OR.sub.5, OCOR.sub.5, --COOH or a pharmaceutically acceptable salt, ester or amide thereof, --CH.sub.2 OH, CH.sub.2 OR.sub.6, CH.sub.2 OCOR.sub.6, or --CHO, CH(OR.sub.7).sub.2, CHOR.sub.8 O, or COR.sub.9, CR.sub.9 (OR.sub.7).sub.2, CR.sub.9 OR.sub.8 O where R.sub.5 is lower alkyl, phenyl or lower alkylphenyl, R.sub.6 is lower alkyl, phenyl or lower alkylphenyl, R.sub.7 is lower alkyl, R.sub.8 is a divalent alkyl radical of 2-5 carbons, and R.sub.9 is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons.

  化合物的公式为##STR1##，其中R.sub.1-R.sub.3独立地为氢，较低的烷基，环烷基或较低的烯基，A和B独立地为氢，较低的烷基，环烷基，较低的烯基，SR.sub.4或OR.sub.4，其中R.sub.4为较低的烷基，环烷基或较低的烯基；Y从由呋喃基，吡嗪基，嘧啶基，吡嗪啉基，噻唑基或噁唑基组成的群体中选择；E为较低的烯基，较低的炔基，较低的环烷基，较低的支链烷基，或由公式(CH.sub.2).sub.n表示，其中n为0-5，Z为H，OH，OR.sub.5，OCOR.sub.5，--COOH或其药学上可接受的盐，酯或酰胺，--CH.sub.2 OH，CH.sub.2 OR.sub.6，CH.sub.2 OCOR.sub.6，或--CHO，CH(OR.sub.7).sub.2，CHOR.sub.8 O，或COR.sub.9，CR.sub.9(OR.sub.7).sub.2，CR.sub.9OR.sub.8O，其中R.sub.5为较低的烷基，苯基或较低的烷基苯基，R.sub.6为较低的烷基，苯基或较低的烷基苯基，R.sub.7为较低的烷基，R.sub.8为2-5个碳的双价烷基基团，R.sub.9为含有1-5个碳的烷基，环烷基或烯基。