thioacetic acid S-[2]thienylmethyl ester | 35250-82-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: thioacetic acid S-[2]thienylmethyl ester
• 英文别名: Thioessigsaeure-S-[2]thienylmethylester；Ethanethioic acid, S-(2-thienylmethyl) ester；S-(thiophen-2-ylmethyl) ethanethioate
• CAS: 35250-82-9
• 化学式: C₇H₈OS₂
• 分子量: 172.272
• InChiKey: UASWRLDINWGDIF-UHFFFAOYSA-N

物化性质

• 沸点：
  56-60 °C(Press: 2 Torr)
• 密度：
  1.236±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-噻吩甲基硫醇 、 乙酰氯 在 吡啶 作用下， 生成 thioacetic acid S-[2]thienylmethyl ester
  参考文献：
  名称：

  New Compounds. Mercaptomethylylthiazole Derivatives

  摘要：

  DOI：

  10.1021/ja01178a601

文献信息

• POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2341091A1

  公开（公告）日：2011-07-06

  The polymerizable composition for an optical material of the present invention comprises a phenylene diisocyanate, at least one polythiol compound selected from the group consisting of 4-mercaptomethyl-1,8-dimercapto-3,6-dithiaoctane, 4,8-, 4,7- or 5,7-dimercaptomethyl-1,11-dimercapto-3,6,9-trithiaundecane, 2,5-bis(mercaptomethyl)-1,4-dithiane, bis(mercaptoethyl)sulfide, 1,1,3,3-tetrakis(mercaptomethylthio)propane, 4,6-bis(mercaptomethylthio)-1,3-dithiane, 2-(2,2-bis(mercaptomethylthio)ethyl)-1,3-dithietane, 1,1,2,2-tetrakis(mercaptomethylthio)ethane 3-mercaptomethyl-1,5-dimercapto-2,4-dithiapentane and tris(mercaptomethylthio)methane.

  用于本发明光学材料的可聚合组合物包括亚苯基二异氰酸酯、至少一种选自以下组别的聚硫醇化合物：4-巯甲基-1,8-二巯基-3,6-二硫代辛烷、4,8-、4,7-或 5,7-二巯甲基-1,11-二巯基-3,6,9-三硫代十一烷、2、5-双（巯甲基）-1,4-二噻烷、双（巯基乙基）硫醚、1,1,3,3-四（巯甲基硫基）丙烷、4,6-双（巯甲基硫基）-1,3-二噻烷、2-（2、1,3-二噻烷、1,1,2,2-四（巯甲基硫基）乙烷、3-巯甲基-1,5-二巯基-2,4-二硫戊烷和三（巯甲基硫基）甲烷。
• POLYMERIC COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2357207A1

  公开（公告）日：2011-08-17

  Disclosed is a polymerizable composition for optical materials containing (a) an aromatic isocyanate, (b) a mercapto group-containing compound, and (c) a phosphorus-containing compound represented by the following general formula (1). O=Pn-X3 (wherein n represents an integer of 0 or 1. X represents a substituted or unsubstituted straight or branched alkyl group having 1 to 6 carbon atoms or the like. In the case where X is a substituted group, the substituted group represents a halogen atom or the like.)

  本发明公开了一种用于光学材料的可聚合组合物，该组合物含有(a)芳香族异氰酸酯，(b)含巯基化合物和(c)由以下通式(1)表示的含磷化合物。O=Pn-X3 (其中 n 代表 0 或 1 的整数。X 代表具有 1 至 6 个碳原子的取代或未取代的直链或支链烷基或类似基团。在 X 为取代基的情况下，取代基代表卤素原子或类似物）。
• Polymerizable composition for optical material, optical material, and method of manufacturing optical material
  申请人：Mitsui Chemicals, Inc.

  公开号：US10202485B2

  公开（公告）日：2019-02-12

  The polymerizable composition for an optical material of the present invention includes: (A) a compound having a carbon-carbon triple bond and at least one group selected from an isocyanate group and an isothiocyanate group in a molecule; and (B) a polythiol compound.

  本发明光学材料的可聚合组合物包括(A) 分子中具有碳碳三键和至少一个选自异氰酸酯基和异硫氰酸酯基的基团的化合物；以及 (B) 聚硫醇化合物。
• Polythiol compound
  申请人：Mitsui Chemicals, Inc.

  公开号：US20030149230A1

  公开（公告）日：2003-08-07

  A polymerizable composition for a lens with a high refractive index comprising at least one polythiol compound represented general formula (1): R—(SH 2 SH) n (1) where R is an organic residue except an aromatic group and n is an integer of at least 1, having at least two intramolecular mercapto groups and at least one compound having an intramolecular functional group which can react with a mercapto group; a resin prepared by polymerizing the composition; an optical element and a lens made of the resin; and a process for preparing a thiol compound comprising the steps of reacting a compound represented by general formula (2): HS—R 1 (—S—R 2 ) m (2) where m is an integer of at least 1; R 1 represents an aromatic, aliphatic, alicyclic or heterocyclic organic residue or aliphatic, alicyclic or heterocyclic organic residue with an aromatic ring or a sulfur atom in its chain; and R 2 represents a protective group, with a compound having a functional group which can react with a mercapto group, and then converting —S—R 2 into —SH.

  一种用于高折射率镜片的可聚合组合物，包含至少一种代表通式(1)的聚硫醇化合物： R-(SH 2 SH) n (1) 其中 R 是除芳香基团之外的有机残基，n 是至少 1 的整数，具有至少两个分子内巯基和至少一种具有可与巯基反应的分子内官能团的化合物；通过聚合该组合物制备的树脂；用该树脂制成的光学元件和透镜；以及制备硫醇化合物的工艺，包括以下步骤：使通式（2）所代表的化合物发生反应： HS-R 1 (-S-R 2 ) m (2) 其中，m 是至少为 1 的整数；R 1 代表芳香族、脂肪族、脂环族或杂环族有机残留物，或其链中带有一个芳香环或一个硫原子的脂环族、脂环族或杂环族有机残留物；以及 R 2 代表保护基团，具有可与巯基反应的官能团的化合物，然后将-S-R 2 转化为-SH。
• Process for preparing a thiol compound
  申请人：Mitsui Chemicals, Inc.

  公开号：US20030199668A1

  公开（公告）日：2003-10-23

  This invention provides a polymerizable composition for a lens with a high refractive index comprising at least one polythiol compound represented general formula (1): R—(SH 2 SH) n (1) where R is an organic residue except an aromatic group and n is an integer of at least 1, having at least two intramolecular mercapto groups and at least one compound having an intramolecular functional group which can react with a mercapto group; a resin prepared by polymerizing the composition; an optical element and a lens made of the resin; and a process for preparing a thiol compound comprising the steps of reacting a compound represented by general formula (2): HS—R 1 (—S—R 2 ) m (2) where m is an integer of at least 1; R 1 represents an aromatic, aliphatic, alicyclic or heterocyclic organic residue or aliphatic, alicyclic or heterocyclic organic residue with an aromatic ring or a sulfur atom in its chain; and R 2 represents a protective group, with a compound having a functional-group which can react with a mercapto group, and then converting —S—R 2 into —SH.

  本发明提供了一种用于高折射率镜片的可聚合组合物，该组合物包含至少一种代表通式(1)的聚硫醇化合物： R-(SH 2 SH) n (1) 其中 R 是除芳香基团之外的有机残基，n 是至少 1 的整数，具有至少两个分子内巯基和至少一种具有可与巯基反应的分子内官能团的化合物；通过聚合该组合物制备的树脂；用该树脂制成的光学元件和透镜；以及制备硫醇化合物的工艺，包括以下步骤：使通式（2）所代表的化合物发生反应： HS-R 1 (-S-R 2 ) m (2) 其中，m 是至少为 1 的整数；R 1 代表芳香族、脂肪族、脂环族或杂环族有机残留物，或其链中带有一个芳香环或一个硫原子的脂环族、脂环族或杂环族有机残留物；以及 R 2 代表保护基团，具有可与巯基反应的官能团的化合物，然后将-S-R 2 转化为-SH。