2-chloro-1,1-dimethoxybutan-3-one | 91157-98-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-chloro-1,1-dimethoxybutan-3-one
• 英文别名: 3-Chloro-4,4-dimethoxy-2-butanone；3-chloro-4,4-dimethoxybutan-2-one；1,1-dimethoxy-2-chlorobutan-2-one；2-chloro-1,1-dimethoxy-3-butanone
• CAS: 91157-98-1
• 化学式: C₆H₁₁ClO₃
• 分子量: 166.605
• InChiKey: YHWZRMDDQITHEN-UHFFFAOYSA-N

物化性质

• 沸点：
  62-64 °C(Press: 20 Torr)
• 密度：
  1.113±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-1,1-dimethoxybutan-3-one 生成 4-Acetyl-2-n-hexylimidazole
  参考文献：
  名称：

  REITER, L. A.

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl 1,2-dichlorovinyl ketone 生成 2-chloro-1,1-dimethoxybutan-3-one
  参考文献：
  名称：

  REITER, L. A.

  摘要：

  DOI：

文献信息

• One-stage procedure of synthesis of highly reactive α-chloro-β-ketoacetals. 4-chloropyrazoles from α-chloro-β-ketodimethoxyacetals
  作者：G. V. Bozhenkov、V. A. Savosik、A. N. Mirskova、G. G. Levkovskaya

  DOI：10.1134/s1070428008020024

  日期：2008.2

  Conditions were developed where the reaction of alkyl 1,2-dichlorovinyl ketones with alcohols and 1,2-dihydroxybenzenes led to the formation of the corresponding open-chain and cyclic α-chloro-β-ketoacetals. The reaction of α-chloro-β-alkylketodimethoxyacetals with alkyl-, benzyl-, and arylhydrazines resulted in 1,3-substituted 4-chloropyrazoles in 70–90% yields demonstrating that primarily formed 2,2-dimethoxy-1-chloroethyl alkyl ketones hydrazones underwent heterocyclization.

  开发了一些条件，使得烷基1,2-二氯乙烯酮与醇和1,2-二羟基苯的反应生成相应的开放链和环状α-氯-β-酮乙缩醛。α-氯-β-烷基酮二甲氧基乙缩醛与烷基、苄基和芳基肼的反应生成了1,3-取代的4-氯吡唑，产率为70-90%，表明主要生成的2,2-二甲氧基-1-氯乙基烷基酮肼类化合物发生了杂环化反应。
• 2-(N-substituted guanidino)-4-hetero-arylthiazole antiulcer agents
  申请人：Pfizer Inc.

  公开号：US04560690A1

  公开（公告）日：1985-12-24

  2,4-Disubstituted thiazole compounds of the formula ##STR1## or a pharmaceutically acceptable acid addition salt thereof wherein X is NH and Y is CH or N, or X is S and Y is CH; R.sup.1 is certain straight or branched chain alkyl groups, (R.sup.3).sub.2 C.sub.6 H.sub.3, or (R.sup.3).sub.2 Ar(CH.sub.2).sub.n where n is an integer from 1 to 4, R.sup.3 is H or certain substituent groups and Ar is phenylene, naphthalene or the residue of certain heteroaromatic groups; R.sup.2 is H or (C.sub.1 -C.sub.4)alkyl; or R.sup.1 and R.sup.2 taken together with the nitrogen atom to which they are attached form certain heterocyclic groups; and R.sup.4 is H, (C.sub.1 -C.sub.5)alkyl, NH.sub.2 or CH.sub.2 OH; a method for their use in treatment of gastric ulcers in mammals and pharmaceutical compositions containing said compounds.

  2,4-二取代噻唑化合物的化学式为##STR1##或其医药上可接受的酸盐，其中X为NH，Y为CH或N，或X为S，Y为CH；R.sup.1为某些直链或支链烷基，(R.sup.3).sub.2 C.sub.6 H.sub.3，或(R.sup.3).sub.2 Ar(CH.sub.2).sub.n，其中n为1至4的整数，R.sup.3为H或某些取代基，Ar为苯基、萘基或某些杂环芳基的残基；R.sup.2为H或(C.sub.1 -C.sub.4)烷基；或R.sup.1和R.sup.2与它们连接的氮原子一起形成某些杂环族；R.sup.4为H，(C.sub.1 -C.sub.5)烷基，NH.sub.2或CH.sub.2 OH；一种用于哺乳动物治疗胃溃疡的方法和含有这些化合物的药物组合物。
• [EN] IMIDAZOLES, OXAZOLES AND THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITIES<br/>[FR] IMIDAZOLES, OXAZOLES ET THIAZOLES PRESENTANT DES ACTIVITES D'INHIBITION DES PROTEINES KINASES
  申请人：VERTEX PHARMA

  公开号：WO2004005283A1

  公开（公告）日：2004-01-15

  The present invention provides compounds of formula I: (I) or a pharmaceutically acceptable derivative thereof, wherein R1, R2, A, G, and W are as described in the specification. These compounds are inhibitors of protein kinase, particularly inhibitors of JNK, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli, Lck, Src, and Aurora kinases. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders.

  本发明提供了化合物I的公式：(I)或其药用可接受的衍生物，其中R1、R2、A、G和W如规范中所述。这些化合物是蛋白激酶的抑制剂，特别是JNK的抑制剂，JNK是一种参与细胞增殖、细胞死亡和对细胞外刺激反应的哺乳动物蛋白激酶，还有Lck、Src和Aurora激酶。该发明还涉及生产这些抑制剂的方法。该发明还提供包括该发明的抑制剂的药物组合物以及利用这些组合物在治疗和预防各种疾病中的方法。
• Process for preparation of 4-acetyl-2-substituted-imidazoles
  申请人：Pfizer Inc.

  公开号：US04482723A1

  公开（公告）日：1984-11-13

  Novel intermediates of the formula ##STR1## where R.sup.1 and R.sup.2 are each (C.sub.1 -C.sub.4)alkyl or taken together are (C.sub.2 -C.sub.4)alkylene, and their use in a process for preparation of compounds of the formula ##STR2## where R is (C.sub.1 -C.sub.6)alkyl or (CH.sub.2).sub.n Ar, Ar is phenyl or phenyl monosubstituted by Cl, Br, F, CH.sub.3 or OCH.sub.3 and n is 2 to 4; which comprises contacting one of said intermediates with an amidine of formula ##STR3## in the presence of reaction inert solvent and base; and a process for preparing a further intermediate, 1,2-dichloro-1-buten-3-one.

  该专利描述了一种中间体的化合物，其化学式为##STR1## 其中R.sup.1和R.sup.2分别为（C.sub.1-C.sub.4）烷基或取在一起为（C.sub.2-C.sub.4）烷基，以及它们在制备化合物的过程中的应用，该化合物的化学式为##STR2## 其中R为（C.sub.1-C.sub.6）烷基或（CH.sub.2）.sub.n Ar，Ar为苯基或经Cl，Br，F，CH.sub.3或OCH.sub.3单取代的苯基，n为2至4；包括在反应惰性溶剂和碱的存在下，将其中一种中间体与公式为##STR3## 的胺基嘧啶接触的方法；以及制备进一步中间体1,2-二氯-1-丁烯-3-酮的方法。
• Heterocyclic inhibitors of ERK2 and uses thereof
  申请人：Cao Jingrong

  公开号：US20070265263A1

  公开（公告）日：2007-11-15

  Described herein are compounds that are useful as protein kinase inhibitors having the formula: wherein Z 1 and Z 2 are each independently nitrogen or CH and Ring A, T m R 1 , QR 2 , U n R 3 , and Sp are as described in the specification. The compounds are especially useful as inhibitors of ERK2 and for treating diseases in mammals that are alleviated by a protein kinase inhibitor, particularly diseases such as cancer, inflammatory disorders, restenosis, diabetes, and cardiovascular disease.

  本文介绍了一些具有下列式的蛋白激酶抑制剂的化合物： 其中Z1和Z2各自独立地为氮或CH，环A、TmR1、QR2、UnR3和Sp如说明书所述。这些化合物特别适用于抑制ERK2并治疗哺乳动物中由蛋白激酶抑制剂缓解的疾病，特别是癌症、炎症性疾病、再狭窄、糖尿病和心血管疾病等疾病。