对异丙基环丙基甲基酮 | 6952-91-6

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 对异丙基环丙基甲基酮
• 英文名称: Cyclopropyl-p-isopropylphenylketon
• 英文别名: Cyclopropyl-<4-isopropyl-phenyl>-keton；Cyclopropyl-(4-isopropyl-phenyl)-methanone；p-cumenyl cyclopropyl ketone；cyclopropyl-(4-propan-2-ylphenyl)methanone
• CAS: 6952-91-6
• 化学式: C₁₃H₁₆O
• 分子量: 188.269
• InChiKey: CMKCTUAFZPHYTE-UHFFFAOYSA-N

物化性质

• 沸点：
  299.8±9.0 °C(Predicted)
• 密度：
  1.044±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914399090

反应信息

• 作为反应物：
  描述：

  对异丙基环丙基甲基酮 在 次氯酸叔丁酯 作用下， 以 2,3,4-三氟甲苯 为溶剂， 反应 0.58h， 以97%的产率得到[4-(1-chloro-1-methyl-ethyl)-phenyl]-cyclopropyl-methanone
  参考文献：
  名称：

  [DE] VERFAHREN ZUR CARBONYLIERUNG VON PHENYLALKYLDERIVATEN MIT KOHLENMONOXID
  [EN] METHOD FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE
  [FR] PROCEDE DE CARBONYLATION DE DERIVES PHENYLALKYLES AU MOYEN DE MONOXYDE DE CARBONE

  摘要：

  公开号：

  WO2006002762A3
• 作为产物：
  描述：

  4-氯-1-[4-(1-甲基乙基)苯基]-1-丁酮 以 甲醇 、 sodium chloride 、 正庚烷 、 水 为溶剂， 生成 对异丙基环丙基甲基酮
  参考文献：
  名称：

  PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE

  摘要：

  这项发明涉及一种制备化合物的方法，该化合物的化学式为（I），其中R1、R2、R3和z的定义如本文所述。

  公开号：

  US20070161814A1

文献信息

• [EN] DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS<br/>[FR] COMPOSÉS DIHYDROPYRAZOLOPYRIMIDINONE UTILISÉS EN TANT QU'EN TANT QU'INHIBITEURS DE PDE2
  申请人：MERCK SHARP & DOHME

  公开号：WO2016192083A1

  公开（公告）日：2016-12-08

  The present invention is directed to dihydropyrazolopyrimidinonecompounds of formula (I) which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.

  本发明涉及式(I)的二氢吡唑并嘧啶酮化合物，该化合物作为治疗与磷酸二酯酶2 (PDE2)相关的中枢神经系统障碍的治疗剂是有用的。本发明还涉及使用这些化合物来治疗神经和精神障碍，如精神分裂症、精神病、帕金森病、帕金森病痴呆（PDD）或亨廷顿病，以及与纹状体功能减退或基底神经节功能障碍相关的疾病。
• Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives
  申请人：Aventisub II Inc.

  公开号：EP2261208A1

  公开（公告）日：2010-12-15

  The present invention is related to novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of formula (I) wherein W represents -C(=O)- or -CH(OH)-; R1 represents hydrogen or hydroxy; R2 represents hydrogen; R1 and R2 taken together form a second bond between the carbon atoms bearing R1 and R2; n is an integer of from 1 to 5; m is an integer 0 or 1; R3 is -COOH or -COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched; each of A is hydrogen or hydroxy; and pharmaceutically acceptable salts and individual optical isomers thereof, with the proviso that where R1 and R2 are taken together to form a second bond between the carbon atoms bearing R1 and R2 or where R1 represented hydroxy, m is an integer 0.

  本发明涉及一种新型中间体和制备某些抗组胺哌啶衍生物的方法，其化学式为(I)，其中W代表-C（=O）-或-CH（OH）-；R1代表氢或羟基；R2代表氢；R1和R2一起形成连接带有R1和R2的碳原子之间的第二个键；n为1至5的整数；m为0或1的整数；R3为-COOH或-COOalkyl，其中烷基具有1至6个碳原子，是直链或支链；每个A是氢或羟基；以及其药学上可接受的盐和单一光学异构体，但当R1和R2一起形成连接带有R1和R2的碳原子之间的第二个键或当R1代表羟基时，m为0。
• Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives
  申请人：Aventis Inc.

  公开号：EP1953142A1

  公开（公告）日：2008-08-06

  The present invention is related to novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of formula (I) wherein W represents -C(=O)- or -CH(OH)-; R1 represents hydrogen or hydroxy; R2 represents hydrogen; R1 and R2 taken together form a second bond between the carbon atoms bearing R1 and R2; n is an integer of from 1 to 5; m is an integer 0 or 1; R3 is -COOH or -COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched; each of A is hydrogen or hydroxy; and pharmaceutically acceptable salts and individual optical isomers thereof, with the proviso that where R1 and R2 are taken together to form a second bond between the carbon atoms bearing R1 and R2 or where R1 represented hydroxy, m is an integer 0.

  本发明涉及一种新的中间体和过程，可用于制备某些抗组胺哌啶衍生物，该衍生物的化学式为(I)，其中W代表-C(=O)-或-CH(OH)-; R1代表氢或羟基; R2代表氢; R1和R2在承载R1和R2的碳原子之间形成第二个键; n是1到5的整数; m是0或1的整数; R3是-COOH或-COOalkyl，其中烷基具有1到6个碳原子，且为直链或支链; A的每个代表氢或羟基; 以及其药学上可接受的盐和单一光学异构体，但其中当R1和R2在承载R1和R2的碳原子之间形成第二个键或R1代表羟基时，m为0。
• Novel intermediates useful for the preparation of antihistaminic piperidine derivatives
  申请人：Merrell Pharmaceuticals Inc.

  公开号：US20010018521A1

  公开（公告）日：2001-08-30

  The present invention is related to a novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of the formula 1 wherein W represents —C(═O)— or —CH(OH)—; R 1 represents hydrogen or hydroxy; R 2 represents hydrogen; R 1 and R 2 taken together form a second bond between the carbon atoms bearing R 1 and R 2 ; n is an integer of from 1 to 5; m is an integer 0 or 1; R 3 is —COOH or —COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched each of A is hydrogen or hydroxy; and pharmaceutically acceptable salts and individual optical isomers thereof, with the proviso that where R 1 and R 2 are ta′ to form a second bond between the carbon and R 1 and R 2 or where R 1 represented hydroxy integer 0.

  本发明涉及一种新型中间体和过程，其在制备某些抗组胺哌啶衍生物的过程中有用，该衍生物的化学式为1，其中W代表—C(═O)—或—CH(OH)—；R1代表氢或羟基；R2代表氢；R1和R2一起形成连接R1和R2的碳原子之间的第二个键；n为1至5的整数；m为0或1的整数；R3为—COOH或—COO烷基，其中烷基部分具有1至6个碳原子，是直链或支链；每个A都是氢或羟基；以及其药学上可接受的盐和各自的光学异构体，但其中当R1和R2结合形成连接R1和R2的第二个键时，或当R1代表羟基时，n为0。
• PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES
  申请人：D'Ambra Thomas E.

  公开号：US20100137605A1

  公开（公告）日：2010-06-03

  The present invention is directed to a process for preparing the piperidine derivative compound 4-[4-[4-hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetic acid of formula comprising the sequential steps of: (1) reacting 4-bromo-α,α-dimethyl-α-(4,4-dimethylisoxazolin-2-yl) toluene with N,N-dimethyl cyclopropylcarboxylic acid amide to provide 4-(cyclopropyl-oxo-methyl)-α,α-dimethyl-α-(4,4-dimethyloxozolin-2-yl) toluene; (2) hydrolyzing said 4-(cyclopropyl-oxo-methyl)-α,α-dimethyl-α-(4,4-dimethyloxozolin-2-yl) toluene to provide 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetic acid; (3) reacting said 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetic acid with methanol to provide methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate; (4) reacting said methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate with 4-(α,α-diphenyl)piperidinemethanol to provide methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylphenylacetate; (5) reducing said methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylphenylacetate to provide methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetate; and (6) hydrolyzing said methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetate to provide said 4-[4-[4-hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetic acid.

  本发明涉及一种制备含有4-[4-[4-羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸的哌啶衍生物化合物的方法，其包括以下步骤：(1)将4-溴-α，α-二甲基-α-(4,4-二甲基异噁唑啉-2-基)甲苯与N，N-二甲基环丙基羧酸酰胺反应，以提供4-(环丙基氧甲基)-α，α-二甲基-α-(4,4-二甲氧异噁唑啉-2-基)甲苯；(2)水解所述的4-(环丙基氧甲基)-α，α-二甲基-α-(4,4-二甲氧异噁唑啉-2-基)甲苯，以提供4-(4-氯-1-氧代丁基)-α，α-二甲基苯乙酸；(3)将所述的4-(4-氯-1-氧代丁基)-α，α-二甲基苯乙酸与甲醇反应，以提供甲基4-(4-氯-1-氧代丁基)-α，α-二甲基苯乙酸酯；(4)将所述的甲基4-(4-氯-1-氧代丁基)-α，α-二甲基苯乙酸酯与4-(α，α-二苯基)哌啶甲醇反应，以提供甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基]-α，α-二甲基苯乙酸酯；(5)还原所述的甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基]-α，α-二甲基苯乙酸酯，以提供甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸酯；(6)水解所述的甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸酯，以提供所述的4-[4-[4-羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸。