dimethyl α-(p-trifluoromethylphenyl)malonate | 145983-01-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: dimethyl α-(p-trifluoromethylphenyl)malonate
• 英文别名: Dimethyl 2-[4-(trifluoromethyl)phenyl]propanedioate
• CAS: 145983-01-3
• 化学式: C₁₂H₁₁F₃O₄
• 分子量: 276.212
• InChiKey: ZTVWNUTUBAPKLN-UHFFFAOYSA-N

物化性质

• 沸点：
  283.9±35.0 °C(Predicted)
• 密度：
  1.296±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  dimethyl α-(p-trifluoromethylphenyl)malonate 在 氢氧化钾 、 sodium hydride 作用下， 以 乙醇 为溶剂， 反应 122.25h， 生成 methyl (R)-(+)-2-(4-trifluromethylphenoxy)propanoate
  参考文献：
  名称：

  含氟芳基丙二酸衍生物的微生物不对称脱羧

  摘要：

  已经将α-甲基-α-（三氟甲基苯基）丙二酸与支气管曲霉（Alcaligenes bronchisepticus）一起温育，以提供旋光性α-芳基丙酸。通常，当芳环上的取代基强烈吸电子时，反应产物的化学和光学产率较高。在相同细菌的帮助下，α-氟代-α-苯基丙二酸的脱羧得到光学活性的α-氟代-α-苯基乙酸。

  DOI：

  10.1016/s0022-1139(00)82414-8
• 作为产物：
  描述：

  methyl 2-(4-(trifluoromethyl)phenyl)acetate 、 碳酸二甲酯 在 sodium hydride 作用下， 以 四氢呋喃 、 paraffin 为溶剂， 反应 2.0h， 以52%的产率得到dimethyl α-(p-trifluoromethylphenyl)malonate
  参考文献：
  名称：

  含氟芳基丙二酸衍生物的微生物不对称脱羧

  摘要：

  已经将α-甲基-α-（三氟甲基苯基）丙二酸与支气管曲霉（Alcaligenes bronchisepticus）一起温育，以提供旋光性α-芳基丙酸。通常，当芳环上的取代基强烈吸电子时，反应产物的化学和光学产率较高。在相同细菌的帮助下，α-氟代-α-苯基丙二酸的脱羧得到光学活性的α-氟代-α-苯基乙酸。

  DOI：

  10.1016/s0022-1139(00)82414-8

文献信息

• Polymerizable halogenated vinyl ethers
  申请人：AlliedSignal Inc.

  公开号：US20010034458A1

  公开（公告）日：2001-10-25

  Vinyl ether compounds having the formula: R-O-X-O—CH═CH 2 wherein R is a radical selected from R 1 -C n H m -, R 1 -C n H m —C(═O)—, R 1 -C n H m —CH[—O-X-O—CH═CH 2 —], R 1 -C n H m —CH['O-X-O—CH═CH 2 —]C(═O)—, R 1 -C n H m —CH[—C(═O)—O-X-O—CH═CH 2 —], R 1 -C n H m —CH[—C(═O)—O-X-O—CH═CH 2 —]C(═O)—, R 1 -[CFCl—CF 2 —] p CH 2 — and HCFCl—CF 2 —, wherein R 1 is hydrogen, an unsubstituted or substituted fluorinated aliphatic radical, an unsubstituted or substituted fluorinated cyclic aliphatic radical, an unsubstituted or substituted fluorinated aromatic radical, an unsubstituted or substituted fluorinated araliphatic radical, or an unsubstituted or substituted fluorinated heterocyclic radical; n is an integer between 1 and 6, inclusive; n≦m≦2n; p is an integer between 1 and 20, inclusive and X is an unsubstituted or substituted aliphatic radical, an unsubstituted or substituted cyclic aliphatic radical, an unsubstituted or substituted aromatic radical, an unsubstituted or substituted araliphatic radical, or an unsubstituted or substituted heterocyclic radical; provided that when R 1 of R 1 -C n H m — is an otherwise unsubstituted fluorinated aliphatic group, X is not ethylene or propylene. Curable compositions containing the vinyl ether compounds are also disclosed, as well as polymers polymerized from the vinyl ether compounds.

  化学式为R-O-X-O—CH═CH2的乙烯醚化合物，其中R是从R1-CnHm-，R1-CnHm—C(═O)—，R1-CnHm—CH[—O-X-O—CH═ —]，R1-CnHm—CH['O-X-O—CH═ —]C(═O)—，R1-CnHm—CH[—C(═O)—O-X-O—CH═ —]，R1-CnHm—CH[—C(═O)—O-X-O—CH═ —]C(═O)—，R1-[CFCl—CF2—]p —和HCFCl—CF2—中选择的基团，其中R1是氢，未取代或取代的氟代脂肪基团，未取代或取代的氟代环状脂肪基团，未取代或取代的氟代芳香基团，未取代或取代的氟代芳基脂肪基团，或未取代或取代的氟代杂环基团；n为1至6之间的整数，包括1和6；n≦m≦2n；p为1至20之间的整数，包括1和20；X是未取代或取代的脂肪基团，未取代或取代的环状脂肪基团，未取代或取代的芳香基团，未取代或取代的芳基脂肪基团，或未取代或取代的杂环基团；但当R1-CnHm—中的R1是除氟代脂肪基团以外的未取代脂肪基团时，X不是乙烯或丙烯。还公开了含有乙烯醚化合物的可固化组合物，以及由乙烯醚化合物聚合而成的聚合物。
• POLYMERIZABLE HALOGENATED VINYL ETHERS
  申请人：AlliedSignal Inc.

  公开号：EP1140759A1

  公开（公告）日：2001-10-10
• Fluorinated oxyvinyl compounds
  申请人：Honeywell International Inc.

  公开号：US20040209202A1

  公开（公告）日：2004-10-21

  Vinyl ether compounds having the formula: R—O—X—O—CH═CH 2 wherein R is a radical selected from R 1 —C n H m —C(═O)—, R 1 —C n H m —CH[—O—X—O—CH═CH 2 —], R 1 —C n H m —CH['O—X—O—CH═CH 2 —]C(═O)—, R 1 —C n H m —CH[—C(═O)—O—X—O—CH═CH 2 —], R 1 —C n H m —CH[—C(═O)—O—X—O—CH═CH 2 —]C(═O)—, R 1 —[CFCl—CF 2 —] p CH 2 — and HCFCl—CF 2 —, wherein R 1 is an unsubstituted or substituted fluorinated aliphatic radical, an unsubstituted or substituted fluorinated cyclic aliphatic radical, an unsubstituted or substituted fluorinated aromatic radical, an unsubstituted or substituted fluorinated araliphatic radical, or an unsubstituted or substituted fluorinated heterocyclic radical; n is an integer between 1 and 6, inclusive; n≦m≦2n; p is an integer between 1 and 20, inclusive and X is an unsubstituted or substituted aliphatic radical, an unsubstituted or substituted cyclic aliphatic radical, an unsubstituted or substituted aromatic radical, an unsubstituted or substituted araliphatic radical, or an unsubstituted or substituted heterocyclic radical; provided that when R 1 of R 1 —C n H m — is an otherwise unsubstituted fluorinated aliphatic group, X is not ethylene or propylene. Curable compositions containing the vinyl ether compounds are also disclosed, as well as polymers polymerized from the vinyl ether compounds.
• US6743943B2
  申请人：——

  公开号：US6743943B2

  公开（公告）日：2004-06-01
• [EN] POLYMERIZABLE HALOGENATED VINYL ETHERS<br/>[FR] VINYL-ETHERS HALOGENES POLYMERISABLES
  申请人：ALLIED SIGNAL INC

  公开号：WO2000037403A1

  公开（公告）日：2000-06-29

  Vinyl ether compounds having the formula: R-O-X-O-CH=CH2, wherein R is R1-CnHm-, R1-CnHm-C(=O)-, R1-CnHm-CH[-O-X-O-CH=CH2-], R1-CnHm-CH[-O-X-O-CH=CH2-]C(=O)-, R1-CnHm-CH[-C(=O)-O-X-O-CH=CH2-], R1-CnHm-CH[-C(=O)-O-X-O-CH=CH2-]C(=O)-, R1-[CFC1-CF2-]pCH2- or HCFC1-CF2-, wherein R1 is hydrogen, an unsubstituted or substituted fluorinated aliphatic, an unsubstituted or substituted fluorinated cyclic aliphatic, an unsubstituted or substituted fluorinated aromatic, an unsubstituted or substituted fluorinated araliphatic, or an unsubstituted or substituted fluorinated heterocyclic; or R is R1-CFH-CF2- or R1-CF=CF-, wherein R1 is hydrogen, an unsubstituted or substituted aliphatic, an unsubstituted or substituted cyclic aliphatic, an unsubstituted or substituted aromatic, an unsubstituted or substituted araliphatic, or an unsubstituted or substituted heterocyclic; n is between 1 and 6, inclusive; n≤m≤2n; p is between 1 and 20, inclusive and X is an unsubstituted or substituted aliphatic, an unsubstituted or substituted cyclic aliphatic, an unsubstituted or substituted aromatic, an unsubstituted or substituted araliphatic, or an unsubstituted or substituted heterocyclic.