S-methyl p-iodobenzothioate | 39248-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: S-methyl p-iodobenzothioate
• 英文别名: 4-Jod-thiobenzoesaeure-methylester；S-methyl 4-iodobenzenecarbothioate
• CAS: 39248-83-4
• 化学式: C₈H₇IOS
• 分子量: 278.113
• InChiKey: FFUDFJCMSWKWIA-UHFFFAOYSA-N

物化性质

• 沸点：
  302.7±34.0 °C(Predicted)
• 密度：
  1.771±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  S-methyl p-iodobenzothioate 、 在 噻吩-2-甲酸亚铜(I) 、 cesium fluoride 、 三(邻甲基苯基)磷 、 palladium dichloride 作用下， 以 1,4-二氧六环 为溶剂， 以92.5%的产率得到N-(2-n-butyl-3-(4-iodobenzoyl)benzofuran-5-yl) methanesulfonamide
  参考文献：
  名称：

  CN116410211

  摘要：

  公开号：
• 作为产物：
  描述：

  硫氰酸甲酯 、 4-碘苯甲酸 在 三氟乙酸 作用下， 反应 2.0h， 以45%的产率得到S-methyl p-iodobenzothioate
  参考文献：
  名称：

  Reaction of para-substituted aromatic acids with methyl thiocyanate in trifluoroacetic acid

  摘要：

  We have investigated the reactions of aromatic carboxylic acids (p-XC6H4COOH, in which X = F, Cl, Br, I, NO2, CH3, H, OCH3) with methyl thiocyanate in trifluoroacetic acid. It was shown that the starting acids are converted to S-methyl benzothioates [p-XC6H4COSCH3 (40-70%)] and the nitrile of the acid [p-XC6H4CN (20-50%)]. In addition to starting acid, in the reaction mixtures products of the reaction of CF3COOH with methyl thiocyanate were identified.

  DOI：

  10.1007/bf00869524

文献信息

• Olah,G.A.; Schilling,P., Justus Liebigs Annalen der Chemie, 1972, vol. 761, p. 77 - 94
  作者：Olah,G.A.、Schilling,P.

  DOI：——

  日期：——
• METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE
  申请人：Design Therapeutics, Inc.

  公开号：US20210228723A1

  公开（公告）日：2021-07-29

  The present disclosure relates to compounds and methods which may be useful for modulating the expression of fxn and treating diseases and conditions in which fxn plays an active role. The compound can be a transcription modulator molecule having a first terminus, a second terminus, and oligomeric backbone, wherein: a) the first terminus comprises a DNA-binding moiety capable of noncovalently binding to a nucleotide repeat sequence GAA; b) the second terminus comprises a protein-binding moiety binding to a regulatory molecule that modulates an expression of a gene comprising the nucleotide repeat sequence GAA; and c) the oligomeric backbone comprising a linker between the first terminus and the second terminus.
• CN116813584
  申请人：——

  公开号：——

  公开（公告）日：——
• Reaction of para-substituted aromatic acids with methyl thiocyanate in trifluoroacetic acid
  作者：Yu. N. Polivin、R. A. Karakhanov、V. A. Vinokurov、M. A. Silin、A. A. Bratkov

  DOI：10.1007/bf00869524

  日期：1992.2

  We have investigated the reactions of aromatic carboxylic acids (p-XC6H4COOH, in which X = F, Cl, Br, I, NO2, CH3, H, OCH3) with methyl thiocyanate in trifluoroacetic acid. It was shown that the starting acids are converted to S-methyl benzothioates [p-XC6H4COSCH3 (40-70%)] and the nitrile of the acid [p-XC6H4CN (20-50%)]. In addition to starting acid, in the reaction mixtures products of the reaction of CF3COOH with methyl thiocyanate were identified.
• CN116410211
  申请人：——

  公开号：——

  公开（公告）日：——