2,2,4,4-tetramethyl-7-bromochroman

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2,2,4,4-tetramethyl-7-bromochroman
• 英文别名: 2,2,4,4 Tetramethyl-7-bromochroman；7-bromo-2,2,4,4-tetramethyl-3H-chromene
• 化学式: C₁₃H₁₇BrO
• 分子量: 269.181
• InChiKey: BMRCEODKXJYNTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2,4,4-tetramethyl-7-bromochroman 、 叔丁基锂 在 二氧化碳 作用下， 以 盐酸 为溶剂， 生成 2,2,4,4-Tetramethyl-7-carboxychroman
  参考文献：
  名称：

  7-chromanyl esters of phenols and benzoic acids having retinoid-like

  摘要：

  化合物的公式为##STR1##，其中R.sub.1-R.sub.6基团独立地为H或1-6碳的直链或支链低碳基或环烷基；X表示酯或硫酯键，Y为具有2-6碳的低支链烷基，具有3-6碳的环烷基或为(CH.sub.2).sub.n，其中n为0-6之间的整数，或为具有1或2个双键的2-6碳的烯基基团，或为具有2-6碳的炔基基团；Z为H、OH、OR'、OCOR'、--COCH或药学上可接受的盐、COOR.sub.8、COONR.sub.9 R.sub.10、--CH.sub.2 OH、CH.sub.2 OR.sub.11、CH.sub.2 OCOR.sub.11、CHO、CH(OR.sub.12)、CHOR.sub.13 O、--COR'、CR'(OR.sub.12).sub.2或CR'OR.sub.13 O；其中R'为含有1-5碳的烷基、环烷基或烯基基团，R.sub.8为1-10碳的烷基或5-10碳的环烷基，或R.sub.8为苯基或低碳基苯基，R.sub.9和R.sub.10独立地为氢、1-10碳的烷基、5-10碳的环烷基或苯基或低碳基苯基，R.sub.11为低碳基，R.sub.13为2-5碳的二价烷基基团。

  公开号：

  US05134159A1
• 作为产物：
  描述：

  3-Bromo-2-(1,1,3-trimethyl-3-hydroxybutyl)phenol 在 硫酸 作用下， 以 水 为溶剂， 生成 2,2,4,4-tetramethyl-7-bromochroman
  参考文献：
  名称：

  7-chromanyl esters of phenols and benzoic acids having retinoid-like

  摘要：

  化合物的公式为##STR1##，其中R.sub.1-R.sub.6基团独立地为H或1-6碳的直链或支链低碳基或环烷基；X表示酯或硫酯键，Y为具有2-6碳的低支链烷基，具有3-6碳的环烷基或为(CH.sub.2).sub.n，其中n为0-6之间的整数，或为具有1或2个双键的2-6碳的烯基基团，或为具有2-6碳的炔基基团；Z为H、OH、OR'、OCOR'、--COCH或药学上可接受的盐、COOR.sub.8、COONR.sub.9 R.sub.10、--CH.sub.2 OH、CH.sub.2 OR.sub.11、CH.sub.2 OCOR.sub.11、CHO、CH(OR.sub.12)、CHOR.sub.13 O、--COR'、CR'(OR.sub.12).sub.2或CR'OR.sub.13 O；其中R'为含有1-5碳的烷基、环烷基或烯基基团，R.sub.8为1-10碳的烷基或5-10碳的环烷基，或R.sub.8为苯基或低碳基苯基，R.sub.9和R.sub.10独立地为氢、1-10碳的烷基、5-10碳的环烷基或苯基或低碳基苯基，R.sub.11为低碳基，R.sub.13为2-5碳的二价烷基基团。

  公开号：

  US05134159A1

文献信息

• Chromans and thiochromans with heteroarylethynyl substituents at the
  申请人：Allergan, Inc.

  公开号：US05346895A1

  公开（公告）日：1994-09-13

  Novel compounds of the formula ##STR1## where X is S, O; R.sub.1 -R.sub.5 are hydrogen or lower alkyl; R.sub.6 is lower alkyl, lower alkenyl, lower cycloalkyl having 1 to 6 carbons, or halogen; A is lower branched chain alkyl having 2 to 6 carbons, cycloalkyl having 3 to 6 carbons, alkenyl having 2 to 6 carbons and 1 or 2 double bonds, alkynyl having 2 to 6 carbons and 1 or 2 triple bonds, (CH.sub.2).sub.n where n is 0-5; and B is hydrogen, COOH or a pharmaceutically acceptable salt thereof, COOR.sub.8, COONR.sub.9 R.sub.10, --CH.sub.2 OH, CH.sub.2 OR.sub.11, CH.sub.2 OCOR.sub.11, CHO, CH(OR.sub.12).sub.2, CHOR.sub.13 O, --COR", CR"(OR.sub.12).sub.2, or CR"OR.sub.13 O, where R" is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons, R.sub.8 is an alkyl group of 1 to 10 carbons, or a cycloalkyl group of 5 to 10 carbons, or R.sub.8 is phenyl or lower alkylphenyl, R.sub.9 and R.sub.10 independently are hydrogen, an alkyl group of 1 to 10 carbons, or a cycloalkyl group of 5 to 10 carbons, or phenyl or lower alkylphenyl, R.sub.11 is lower alkyl, phenyl or lower alkylphenyl, R.sub.12 is lower alkyl, and R.sub.13 is a divalent alkyl radical of 2-5 carbons, have retinoic acid like activity.

  该化合物的新型化合物的化学式为##STR1##其中X为S，O; R.sub.1-R.sub.5为氢或较低的烷基; R.sub.6为较低的烷基，较低的烯基，具有1到6个碳的较低的环烷基或卤素; A为具有2到6个碳的较低的支链烷基，具有3到6个碳的环烷基，具有1或2个双键的2到6个碳的烯基，具有2到6个碳的炔基和1或2个三键，(CH.sub.2).sub.n，其中n为0-5; B为氢，COOH或其药学上可接受的盐，COOR.sub.8，COONR.sub.9 R.sub.10，--CH.sub.2 OH，CH.sub.2 OR.sub.11，CH.sub.2 OCOR.sub.11，CHO，CH(OR.sub.12).sub.2，CHOR.sub.13 O，--COR"，CR"(OR.sub.12).sub.2或CR"OR.sub.13 O，其中R"是含有1到5个碳的烷基，环烷基或烯基基团，R.sub.8是1到10个碳的烷基或5到10个碳的环烷基，或R.sub.8是苯基或较低的烷基苯基，R.sub.9和R.sub.10独立地为氢，1到10个碳的烷基或5到10个碳的环烷基，或苯基或较低的烷基苯基，R.sub.11为较低的烷基，苯基或较低的烷基苯基，R.sub.12为较低的烷基，R.sub.13是2-5个碳的二价烷基基团，具有类似于视黄酸的活性。
• Chromans and thiochromans with phenylethynyl substituents at the
  申请人：Allergan, Inc.

  公开号：US05346915A1

  公开（公告）日：1994-09-13

  Novel compounds of the formula ##STR1## where X is S, O; R.sub.1 -R.sub.5 are hydrogen or lower alkyl; R.sub.6 is lower alkyl, lower alkenyl, lower cycloalkyl having 1 to 6 carbons, or halogen; A is lower branched chain alkyl having 2 to 6 carbons, cycloalkyl having 3 to 6 carbons, alkenyl having 2 to 6 carbons and 1 or 2 double bonds, alkynyl having 2 to 6 carbons and 1 or 2 triple bonds, (CH.sub.2).sub.n where n is 0-5; and B is hydrogen, COOH or a pharmaceutically acceptable salt thereof, COOR.sub.8, COONR.sub.9 R.sub.10, --CH.sub.2 OH, CH.sub.2 OR.sub.11, CH.sub.2 OCOR.sub.11, CHO, CH(OR.sub.12).sub.2, CHOR.sub.13 O, --COR", CR"(OR.sub.12).sub.2, or CR"OR.sub.13 O, where R" is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons, R.sub.8 is an alkyl group of 1 to 10 carbons, or a cycloalkyl group of 5 to 10 carbons, or R.sub.8 is phenyl or lower alkylphenyl, R.sub.9 and R.sub.10 independently are hydrogen, an alkyl group of 1 to 10 carbons, or a cycloalkyl group of 5 to 10 carbons, or phenyl or lower alkylphenyl, R.sub.11 is lower alkyl, phenyl or lower alkylphenyl, R.sub.12 is lower alkyl, R.sub.13 is divalent alkyl radical of 2-5 carbons, have retinoic acid like activity.

  公式为##STR1##的新化合物，其中X是S，O; R.sub.1-R.sub.5是氢或较低烷基; R.sub.6是具有1到6个碳的较低烷基，较低烯基，较低环烷基或卤素; A是具有2到6个碳的较低支链烷基，具有3到6个碳的环烷基，具有1或2个双键的2到6个碳的烯基，具有2到6个碳的炔基和1或2个三键，(CH.sub.2).sub.n，其中n为0-5;B是氢，COOH或其药学上可接受的盐，COOR.sub.8，COONR.sub.9 R.sub.10，--CH.sub.2 OH，CH.sub.2 OR.sub.11，CH.sub.2 OCOR.sub.11，CHO，CH（OR.sub.12）.sub.2，CHOR.sub.13 O，--COR"，CR"（OR.sub.12）.sub.2，或CR"OR.sub.13 O，其中R"是含有1到5个碳的烷基，环烷基或烯基基团，R.sub.8是1到10个碳的烷基或5到10个碳的环烷基，或R.sub.8是苯基或较低烷基苯基，R.sub.9和R.sub.10独立地是氢，1到10个碳的烷基或5到10个碳的环烷基，或苯基或较低烷基苯基，R.sub.11是较低烷基，苯基或较低烷基苯基，R.sub.12是较低烷基，R.sub.13是2-5个碳的双价烷基基团，具有类似于视黄酸的活性。
• CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY
  申请人：ALLERGAN, INC.

  公开号：EP0571546B1

  公开（公告）日：1996-10-16
• 7-CHROMANYL ESTERS OF PHENOLS AND BENZOIC ACIDS HAVING RETINOID-LIKE ACTIVITY
  申请人：ALLERGAN, INC.

  公开号：EP0580738A1

  公开（公告）日：1994-02-02
• US5134159A
  申请人：——

  公开号：US5134159A

  公开（公告）日：1992-07-28