α-Chlorodibenzyl sulfide | 51317-73-8

• 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: α-Chlorodibenzyl sulfide
• 英文别名: benzyl-(α-chloro-benzyl)-sulfide；Benzyl-(α-chlor-benzyl)-sulfid；α-Chlorbenzyl-benzylsulfid；α-Chlorbenzylbenzylsulfid；α-Chlor-dibenzylsulfid；Benzene, [chloro[(phenylmethyl)thio]methyl]-；[benzylsulfanyl(chloro)methyl]benzene
• CAS: 51317-73-8
• 化学式: C₁₄H₁₃ClS
• 分子量: 248.776
• InChiKey: KQCJJUZZGKTVFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  α-Chlorodibenzyl sulfide 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 Diethyl α-(benzylsulfinyl)benzylphosphonate
  参考文献：
  名称：

  Thiopyranothiopyran chemistry. 1. Synthesis of 1,3,5,7-tetraphenylthiopyrano[4,3-c]thiopyran 2,2,6,6-tetraoxide

  摘要：

  DOI：

  10.1021/jo00200a024
• 作为产物：
  描述：

  二苄基硫醚 在 磺酰氯 作用下， 以 四氯化碳 为溶剂， 生成 α-Chlorodibenzyl sulfide
  参考文献：
  名称：

  Thiopyranothiopyran chemistry. 1. Synthesis of 1,3,5,7-tetraphenylthiopyrano[4,3-c]thiopyran 2,2,6,6-tetraoxide

  摘要：

  DOI：

  10.1021/jo00200a024

文献信息

• [EN] NAPHTHYLACETIC ACIDS<br/>[FR] ACIDES NAPHTYLACÉTIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010055005A1

  公开（公告）日：2010-05-20

  The invention is concerned with the compounds of formula (I) and pharmaceutically acceptable salts and esters thereof, wherein X, Q, and R1-R6 are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds of formula (I) are antagonists or partial agonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.

  本发明涉及式(I)的化合物以及药用可接受的盐和酯，其中X、Q和R1-R6在详细描述和权利要求中定义。此外，本发明还涉及制造和使用式(I)化合物的方法，以及包含此类化合物的药物组合物。式(I)的化合物是CRTH2受体的拮抗剂或部分激动剂，可用于治疗与该受体相关的疾病和失调，如哮喘。
• Deoxygenation of Sulfoxides to Sulfides with Thionyl Chloride and Triphenylphosphine: Competition with the Pummerer Reaction
  作者：Yujin Jang、Kyoung Tae Kim、Heung Bae Jeon

  DOI：10.1021/jo4008157

  日期：2013.6.21

  have been developed to reduce sulfoxides to sulfides, many of these processes are limited by side reactions, low yields, poorly available reagents, or harsh reaction conditions. We recently studied the reaction of various sulfoxides with SOCl2 and Ph3P. We were able to obtain the corresponding sulfides in excellent yields (>90%) when aliphatic and aromatic sulfoxides were treated with SOCl2 as a catalyst

  尽管已经开发出许多方法将亚砜还原成硫化物，但是这些方法中的许多都受到副反应，低收率，难得的试剂或苛刻的反应条件的限制。我们最近研究了各种亚砜与SOCl 2和Ph 3 P的反应。当脂族和芳族亚砜用SOCl 2作为催化剂和Ph 3 P处理时，我们能够以优异的产率（> 90％）获得相应的硫化物。在室温下为THF。
• [EN] [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR<br/>[FR] DÉRIVÉS DE [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE AYANT UNE AFFINITÉ POUR LE RÉCEPTEUR CANNABINOÏDE DE TYPE 2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017220517A1

  公开（公告）日：2017-12-28

  The invention relates to a compound of formula (I) wherein R1 to R4 and n are defined as in the description and in the claims. The compound of formula (I) can be used as a medicament.

  该发明涉及一种化合物，其化学式为（I），其中R1至R4和n的定义如描述和权利要求中所述。化合物的化学式（I）可用作药物。
• Substituted pyrimidin-2-ones and the salts thereof
  申请人：Nyegaard & Co. A/S

  公开号：US04539324A1

  公开（公告）日：1985-09-03

  Compounds of the general formula: ##STR1## wherein X represents halogen or trifluoromethyl; R.sup.1 and R.sup.2, independently represent hydrogen or lower alkyl; R.sup.3, R.sup.4 and R.sup.5, which may be the same or different, each represent hydrogen, lower alkyl, lower alkenyl, lower alkynyl, lower alkanoyl, lower alkenoyl, C.sub.7-16 aralkyl or C.sub.6-10 aryl or a 5-9 membered unsaturated or aromatic heterocyclic ring; one or both of R.sup.4 and R.sup.5 may also represent aroyl groups; Z represents an oxygen atom or a sulfur atom or oxide thereof or a group NR.sup.6 (wherein R.sup.6 is as defined for R hereinafter or represents the group COR.sup.7 in which R.sup.7 represents hydrogen or optionally substituted aryl, heterocyclic, aralkyl, lower alkyl or lower alkoxy group; and R represents a C.sub.6-10 carbocyclic aromatic group or a heterocyclic group containing a 5-9 membered unsaturated or aromatic heterocyclic ring which ring contains one or more heteroatoms selected from O, N and S and optionally carries a fused ring which carbocyclic or heterocyclic group may carry one or more C.sub.1-4 alkyl or phenyl groups said groups being optionally substituted; and where acid or basic groups are present, the salts thereof are useful in combating abnormal cell proliferation. The compounds of the invention are prepared by inter alia alkylation, ring closure and oxidation.

  通式为：##STR1##其中X代表卤素或三氟甲基；R.sup.1和R.sup.2分别代表氢或较低的烷基；R.sup.3、R.sup.4和R.sup.5可以相同或不同，分别代表氢、较低的烷基、较低的烯基、较低的炔基、较低的酰基、较低的烯酰基、C.sub.7-16芳基烷基或C.sub.6-10芳基或5-9成员不饱和或芳香杂环环；R.sup.4和R.sup.5中的一个或两个还可以表示芳酰基；Z代表氧原子或硫原子或其氧化物或基团NR.sup.6（其中R.sup.6如下定义或表示基团COR.sup.7，其中R.sup.7代表氢或可选择取代的芳香基、杂环基、芳基烷基、较低的烷基或较低的烷氧基；R代表C.sub.6-10的碳环芳基或含有5-9成员不饱和或芳香杂环环的杂环基，该环含有O、N和S中选择的一个或多个杂原子，并且可以携带一个或多个C.sub.1-4烷基或苯基，所述基团可以是可选择的取代基；当存在酸性或碱性基团时，其盐在对抗异常细胞增殖方面是有用的。该发明的化合物通过烷基化、环闭合和氧化等方法制备。
• Benneche, Tore; Strande, Per; Undheim, Kjell, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1987, vol. 41, p. 448 - 454
  作者：Benneche, Tore、Strande, Per、Undheim, Kjell

  DOI：——

  日期：——