S-benzyl-3-mercaptopropanoyl chloride | 6513-27-5

• 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-benzyl-3-mercaptopropanoyl chloride
• 英文别名: 3-benzylsulfanyl-propionyl chloride；3-Benzylmercapto-propionylchlorid；3-(benzylthio)propanoyl chloride；β-Benzylmercaptopropionylchlorid；3-Benzyloxy-propionsaeurechlorid；Benzylthiomethylacetyl chloride；3-benzylsulfanylpropanoyl chloride
• CAS: 6513-27-5
• 化学式: C₁₀H₁₁ClOS
• 分子量: 214.716
• InChiKey: WQYXPCPCZUERJO-UHFFFAOYSA-N

物化性质

• 沸点：
  150-152 °C(Press: 7 Torr)
• 密度：
  1.208±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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-benzyl-3-mercaptopropanoyl chloride 生成 3-benzylsulfanylpropionamide
  参考文献：
  名称：

  Cagniant; Cagniant, Bulletin de la Societe Chimique de France, 1959, p. 1998,2009

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(苄基硫代)丙酸甲酯 在 盐酸 、 氯化亚砜 作用下， 以 苯 为溶剂， 生成 S-benzyl-3-mercaptopropanoyl chloride
  参考文献：
  名称：

  Sperna Weiland,J.H., Recueil des Travaux Chimiques des Pays-Bas, 1964, vol. 83, p. 81 - 93

  摘要：

  DOI：

文献信息

• Thiol compounds. I. Synthesis and antihypertensive activity of mercaptoacylamino acids.
  作者：MASAYUKI OYA、JUNZOH MATSUMOTO、HIDEO TAKASHINA、JUNICHI IWAO、YOSHIHIKO FUNAE

  DOI：10.1248/cpb.29.63

  日期：——

  A series of mercaptoacylamino acids was synthesized and screened as angiotensin I-converting enzyme inhibitors. The inhibitory activities of these compounds were compared with that of (2S)-1-[(2S)-3-mercapto-2-methylpropanoyl] proline. The structureactivity relationship of the compounds is discussed.

  一系列巯基乙酰氨基酸类化合物被合成并通过筛查，作为血管紧张素I转化酶抑制剂。这些化合物的抑制活性与（2S）-1-[(2S)-3-巯基-2-甲基丙酰基]脯氨酸进行了比较。并对这些化合物的构效关系进行了讨论。
• [EN] TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD<br/>[FR] DERIVES DE LA TRIAZOLONE UTILISES COMME INHIBITEURS DE LA MMP DANS LE TRAITEMENT DE L'ASTHME ET DE LA BPCO
  申请人：ASTRAZENECA AB

  公开号：WO2005095362A1

  公开（公告）日：2005-10-13

  The invention provides compounds of formula (I): wherein R1, R2, R3, R4, R5, X, Y, L, G1 and m have the meanings defined in the specification; processes for their preparation; pharmaceutical compositions containing them; a process for preparing the pharmaceutical compositions; and their use in therapy. The compounds are useful as metalloproteinase (MMP) inhibitors.

  该发明提供了式(I)的化合物：其中R1、R2、R3、R4、R5、X、Y、L、G1和m的含义如规范中所定义；它们的制备方法；含有它们的药物组合物；制备药物组合物的方法；以及它们在治疗中的用途。这些化合物可用作金属蛋白酶（MMP）抑制剂。
• Interaction between the carbonyl group and an α-sulphur atom. Part I. Infrared and ultraviolet spectra of some α-(alkylthio)thioesters
  作者：B. Wladislaw、H. Viertler、E. Berthold Demant

  DOI：10.1039/j29710000565

  日期：——

  Some α-(alkylthio)thioesters exhibit a shift of the carbonyl stretching frequency to lower frequencies in comparison with the unsubstituted thioesters, and a strong u.v. absorption maximum at ca. 285 nm, which is absent from the spectra of the unsubstituted thioesters. The similarity of the spectroscopic data for the α-(alkylthio)-ketones and -esters is discussed.

  与未取代的硫代酯相比，某些α-（烷硫基）硫代酯表现出羰基拉伸频率向较低频率的偏移，并且在约500nm处具有强大的紫外线吸收最大值。285nm，未取代的硫代酯的光谱中没有。讨论了α-（烷硫基）-酮和-酯的光谱数据的相似性。
• Ether-containing or thioether-containing 1,3-diketones and the use
  申请人：Ciba-Geigy Corporation

  公开号：US04992504A1

  公开（公告）日：1991-02-12

  Composition containing a chlorine-containing polymer and at least one compound of the formula IA ##STR1## in which R.sup.1 and R.sup.3 independently of one another are C.sub.1 -C.sub.12 alkyl, phenyl, phenyl which is substituted by one to three C.sub.1 -C.sub.12 alkyl groups, C.sub.7 -C.sub.10 phenylalkyl or C.sub.7 -C.sub.10 phenylalkyl which is substituted on the phenyl ring by one to three C.sub.1 -C.sub.12 alkyl groups and R.sup.1 is additionally --R.sup.2 --X--R.sup.3, R.sup.2' is C.sub.1 -C.sub.10 alkylene, R.sup.4 is hydrogen, C.sub.2 -C.sub.5 alkoxycarbonyl or C.sub.2 -C.sub.5 alkanoyl and X is oxygen or sulfur. Compounds of the formula IA in which R.sup.2' is other than methylene are novel, with the exception of the compounds ##STR2##

  含有氯含聚合物和至少一种式IA化合物的组合物，其中R.sup.1和R.sup.3相互独立地为C.sub.1-C.sub.12烷基，苯基，被1至3个C.sub.1-C.sub.12烷基取代的苯基，C.sub.7-C.sub.10苯基烷基或被1至3个C.sub.1-C.sub.12烷基取代苯环的C.sub.7-C.sub.10苯基烷基，其中R.sup.1另外为--R.sup.2--X--R.sup.3，R.sup.2'为C.sub.1-C.sub.10烷基，R.sup.4为氢，C.sub.2-C.sub.5烷氧羰基或C.sub.2-C.sub.5烷酰基，X为氧或硫。其中R.sup.2'不为亚甲基的式IA化合物是新颖的，除了化合物##STR2##。
• Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd
  申请人：Eriksson Anders

  公开号：US20070219217A1

  公开（公告）日：2007-09-20

  The invention provides compounds of formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, Y, L, G 1 and m have the meanings defined in the specification; processes for their preparation; pharmaceutical compositions containing them; a process for preparing the pharmaceutical compositions; and their use in therapy.

  本发明提供了式(I)的化合物：其中R1，R2，R3，R4，R5，X，Y，L，G1和m具有规范中定义的含义；它们的制备方法；含有它们的制药组合物；制备制药组合物的方法；以及它们在治疗中的用途。