1,1-二氯丁烷 | 541-33-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 中文名称: 1,1-二氯丁烷
• 中文别名: 亞丁基氯
• 英文名称: 1,1-dichlorobutane
• CAS: 541-33-3；26761-81-9
• 化学式: C₄H₈Cl₂
• mdl: MFCD00041729
• 分子量: 127.014
• InChiKey: SEQRDAAUNCRFIT-UHFFFAOYSA-N

物化性质

• 熔点：
  -70.34°C (estimate)
• 沸点：
  bp752 114.8-115.1°
• 密度：
  d25 1.0797
• 保留指数：
  756;755;755

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  3.1
• 包装等级：
  II
• 危险类别：
  3.1
• 危险品运输编号：
  UN 1993

制备方法与用途

类别：易燃液体

毒性分级：中毒

急性毒性（口服）- 小鼠 LD50: 4859 毫克/公斤

可燃性危险特性：遇明火、高温或强氧化剂时可燃；高温下分解产生有毒氯化物气体

储运特性：包装需完好，轻装轻卸；库房应保持通风，远离明火和高温环境，并与氧化剂分开存放

灭火剂：泡沫、干粉或二氧化碳

反应信息

• 作为反应物：
  描述：

  1,1-二氯丁烷 在 三氯化铝 、 苯 作用下， 生成 1,4-二苯丁烷
  参考文献：
  名称：

  Alkylation of Benzene with Polyhalides in the Presence of Saturated Hydrocarbons and Aluminum Chloride¹

  摘要：

  DOI：

  10.1021/ja01567a075
• 作为产物：
  描述：

  1,1,1-三氯丁烷 在 五羰基铁 、 异丙醇 作用下， 生成 1,1-二氯丁烷
  参考文献：
  名称：

  The Fe(CO)5 initiated reduction of polychloroalkanes of the CCl3CH2CHXY type

  摘要：

  DOI：

  10.1007/bf00947313

文献信息

• Flash vacuum pyrolysis over magnesium. Part 1. Pyrolysis of benzylic, other aryl/alkyl and aliphatic halides
  作者：R. Alan Aitken、Philip K. G. Hodgson、John J. Morrison、Adebayo O. Oyewale

  DOI：10.1039/b108663d

  日期：2002.1.23

  Flash vacuum pyrolysis over a bed of freshly sublimed magnesium on glass wool results in efficient coupling of benzyl halides to give the corresponding bibenzyls. Where an ortho halogen substituent is present further dehalogenation gives some dihydroanthracene and anthracene. Efficient coupling is also observed for halomethylnaphthalenes and halodiphenylmethanes while chlorotriphenylmethane gives 4,4′-bis(diphenylmethyl)biphenyl. By using α,α′-dihalo-o-xylenes, benzocyclobutenes are obtained in good yield, while the isomeric α,α′-dihalo-p-xylenes give a range of high thermal stability polymers by polymerisation of the initially formed p-xylylenes. Other haloalkylbenzenes undergo largely dehydrohalogenation where this is possible, in some cases resulting in cyclisation. Deoxygenation is also observed with haloalkyl phenyl ketones to give phenylalkynes as well as other products. With simple alkyl halides there is efficient elimination of HCl or HBr to give alkenes. For aliphatic dihalides this also occurs to give dienes but there is also cyclisation to give cycloalkanes and dehalogenation with hydrogen atom transfer to give alkenes in some cases. For 5-bromopent-1-ene the products are those expected from a radical pathway but for 6-bromohex-1-ene they are clearly not. For 2,2-dichloropropane and 1,1-dichloropropane elimination of HCl occurs but for 1,1-dichlorobutane, -pentane and -hexane partial hydrolysis followed by elimination of HCl gives E,E-, E,Z- and Z,Z- isomers of the dialk-1-enyl ethers and fully assigned 13C NMR data are presented for these. With 6-chlorohex-1-yne and 7-chlorohept-1-yne there is cyclisation to give methylenecycloalkanes and -cycloalkynes. The behaviour of 1,2-dibromocyclohexane and 1,2-dichlorocyclooctane under these conditions is also examined. Various pieces of evidence are presented that suggest that these processes do not involve generation of free gas-phase radicals but rather surface-adsorbed organometallic species.

  在玻璃棉上覆盖一层新升华的镁,进行闪式真空热解,能有效促使苄基卤化物耦合生成相应的联苄。当有邻位卤素取代基存在时,进一步脱卤生成部分二氢蒽和蒽。卤甲基萘和二苯基甲烷也能高效耦合,而三苯基氯甲烷则生成4,4′-双(二苯甲基)联苯。用α,α′-二卤代邻二甲苯可以获得较高产率的苯并环丁烯,而异构的α,α′-二卤代对二甲苯,通过形成的对二甲苯的聚合,可以得到一系列高热稳定性的聚合物。其他卤代烃苯大体上会脱卤化氢,某些情况下能产生环化反应。同样可以观察到,苯基卤代烷烃脱去羰基生成苯乙炔以及其他产物。简单的烷基卤化物则高效地脱去HCl或HBr生成烯烃。脂肪族二卤化物也会发生这一反应生成二烯,但不发生环化反应生成环烷烃,或在某些情况下发生氢原子转移的脱卤反应生成烯烃。5-溴戊-1-烯的产物符合自由基途径的预期,但6-溴己-1-烯并不符合。2,2-二氯丙烷和1,1-二氯丙烷能脱去HCl,但1,1-二氯丁烷、戊烷和己烷则能部分水解,随后脱去HCl,生成E,E-, E,Z-和Z,Z-异构体二烷-1-烯基醚,并且得到了这些物质的13C NMR全归属数据。6-氯己-1-炔和7-氯庚-1-炔能发生环化反应生成亚甲基环烷烃和环炔烃。本文还考察了1,2-二溴环己烷和1,2-二氯环辛烷在上述条件下的行为。本文给出了众多种证据,表明这些反应过程不涉及气相自由基的形成,而是表面吸附的金属有机物种。
• [EN] FUNCTIONALIZED QUATERNARY AMMONIUM HALIDES AND USE THEREOF<br/>[FR] HALOGÉNURES D'AMMONIUM QUATERNAIRE FONCTIONNALISÉS ET LEUR UTILISATION
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2016148649A1

  公开（公告）日：2016-09-22

  Provision of hydroxyl group functionalized quaternary ammonium halides, photocurable or hydrolytically curable urethane based polymers thereof and their use as antifouling agents.

  提供含有羟基功能化季铵卤化物的光固化或水解固化聚氨酯基聚合物及其作为防污剂的应用。
• [EN] PROCESS FOR PRODUCING AN AMINOPROPYNE OR ENAMINONE<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN AMINOPROPYNE OU D'UNE ÉNAMINONE
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2013006143A1

  公开（公告）日：2013-01-10

  There is provided a process for producing an aminopropyne or an enaminone comprising the step of reacting a metal acetylide, an amine and a carbonyl-containing compound in the presence of a transition metal catalyst. There is also provided a process for producing an aminopropyne comprising the step of reacting a metal acetylide, an amine and a halide-containing compound in the presence of a transition metal catalyst at a reaction temperature of 50°C to 150°C. There are also provided processes to further synthesize the aminopropyne produced to obtain a butyneamine, another aminopropyne or a triazol.

  提供了一种生产氨基丙炔或烯胺酮的方法，包括在过渡金属催化剂存在下，通过反应金属乙炔、胺和含羰基化合物的步骤。还提供了一种生产氨基丙炔的方法，包括在反应温度为50°C至150°C下，在过渡金属催化剂存在下，通过反应金属乙炔、胺和含卤化物的化合物的步骤。还提供了进一步合成生产的氨基丙炔以获得丁炔胺、另一种氨基丙炔或三唑的方法。
• [EN] TRIAZACYCLODODECANSULFONAMIDE ("TCD")-BASED PROTEIN SECRETION INHIBITORS<br/>[FR] INHIBITEURS DE SÉCRÉTION DE PROTÉINE À BASE DE TRIAZACYCLODODÉCANSULFONAMIDE ("TCD")
  申请人：KEZAR LIFE SCIENCES

  公开号：WO2019178510A1

  公开（公告）日：2019-09-19

  Provided herein are triazacyclododecansulfonamide ("TCD")-based protein secretion inhibitors, such as inhibitors of Sec61, methods for their preparation, related pharmaceutical compositions, and methods for using the same. For example, provided herein are compounds of Formula (I) and pharmaceutically acceptable salts and compositions including the same. The compounds disclosed herein may be used, for example, in the treatment of diseases including inflammation and/or cancer.

  本文提供了基于三氮杂环十二烷磺酰胺（"TCD"）的蛋白质分泌抑制剂，例如Sec61的抑制剂，其制备方法，相关的药物组合物，以及使用它们的方法。例如，本文提供了符合Formula（I）的化合物及其药用盐和包括它们的组合物。本文披露的化合物可以用于治疗炎症和/或癌症等疾病。
• Process for producing aliphatic carboxylic acid
  申请人：Nippon Shokubai Co., Ltd.

  公开号：US20040254398A1

  公开（公告）日：2004-12-16

  It is an object of the present invention to provide a process for producing aliphatic carboxylic acid, which can stabilize operation of a distillation column upon production of aliphatic carboxylic acid by reducing a water content in an aqueous aliphatic carboxylic acid solution by a distillation column, and can shorten a time during the non-steady state such as at starting up of distillation column operation. The present invention is directed to a process for producing aliphatic carboxylic acid, which comprises an azeotropic distillation step of supplying an aqueous aliphatic carboxylic acid solution and an azeotropic solvent to an azeotropic distillation column to perform distillation, separating an azeotrope containing the azeotropic solvent and water as a distillate, and recovering aliphatic carboxylic acid with a reduced water content as bottom liquid, characterized in that a target value of an amount of the azeotropic solvent to be supplied is set depending on an amount of water in the aqueous aliphatic carboxylic acid solution supplied to the azeotropic distillation column, and the amount of the azeotropic solvent to be supplied is controlled at the target value.

  本发明的目的是提供一种生产脂肪族羧酸的方法，通过在蒸馏塔中减少水含量来稳定脂肪族羧酸的生产过程，并缩短非稳态状态（如蒸馏塔操作启动时）的时间。本发明涉及一种生产脂肪族羧酸的方法，包括供应含水脂肪族羧酸溶液和共沸溶剂至共沸蒸馏塔进行蒸馏的共沸蒸馏步骤，分离含有共沸溶剂和水的共沸物作为馏出物，并以减少水含量的脂肪族羧酸作为底液回收，其特征在于根据供应至共沸蒸馏塔的含水脂肪族羧酸溶液中的水量设定共沸溶剂的供应量目标值，并控制共沸溶剂的供应量达到目标值。

表征谱图