CAS: 1192-52-5; 4,5-Dichloro-3H-1,2-Dithiol-3-One

该化合物是存在两个氯原子和一个二硫醇结构,该化合物的特点是五人环,内含两个硫磺原子和一个碳基组,有助于其反应和在各种化学工艺中的潜在应用.该化合物在室温中一般是一种固体,可能表现出一种明显的气味.氯原子的存在增强了其电子遗传特性,使其在有机合成中有用,并成为化学反应中的试剂.此外,二硫醇的功能允许形成金属复合体,这在化学协调中可能具有相关性.在处理该化合物时,应采取安全防范措施,因为其反应性可能给健康带来危险.

英文名称4,5-Dichloro-3H-1,2-Dithiol-3-One
中文名称二氯-1,2-二硫环戊烯酮
IUPAC名称4,5-dichloro-3H-1,2-dithiol-3-one
其它别名Dichloro-1,2-Dithiacyclopentenone In Stock Factory; Dichloro-1,2-Dihiacyclopenenone; 4,5-Dichloro(3H)-1,2-Dithiol-2-One; 2,2-Diphenyl-3-Butynamide; 4,5-Dichlorodithiol-3-One; 3H-1,2-Dithiol-3-One, 4,5-Dichloro-; 4,5-Dichloro-1,2-Dithiacyclopentenone
CAS编号1192-52-5
MFCD编号:MFCD00043025
EINECS号:214-754-5
FDA UNII编号:N864R2B87O
分子式:C3Cl2OS2分子量:187.05
产品CID: 255494
产品分类有机原料 → 酮类化合物

相似结构搜索
InChIKey: QGSRKGWCQSATCL-UHFFFAOYSA-N
InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6
计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数0.0

MSDS等安全信息

GHS象形图
GHS符号GHS06 & GHS09;
注释: Skull and crossbones & Environment
危险类别急性毒性类别3(经口)
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
水生急性毒性类别1
警示词Danger(危险)
危险描述H301 |吞咽会中毒.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H400 |对水生生物毒性极大.
防范说明P261-P273-P301+P310
危险等级6.1(b)
UN编号2811
危险品标志T
包装等级III
安全声明36/37/39-45
危险类别码25-37/38
WGK Germany3

欧盟法规

ECHA物质C&L通报REACH预注册

合成工艺路线路线简述

📜3,4,5-Trichloro-1,2-Dithiolium Chloride置于水体系中,化学反应 0.33H,以96%的收率获得二氯-1,2-二硫环戊烯酮
参考文献:4-Chloro-1,2-Dithiol-3-One 硫糖苷类偶联物的合成与体内外潜在抗癌物质研究
标题:4-Chloro-1,2-Dithiol-3-One 硫糖苷类偶联物的合成与体内外潜在抗癌物质研究
摘要:使用 1-硫代-β-D-吡喃葡萄糖及其 2,3,4,6-四-O-乙酰基衍生物在乙腈中亲核取代 4,5-二氯-1,2-二硫醇-3-酮中的氯原子产生了两种新的 4-氯-1,2-二硫醇-3-酮的 5-硫代葡萄糖苷缀合物.所获得的硫代葡萄糖苷在软琼脂中的小鼠表皮 Jb6Cl41 P+ 细胞模型中显示出抗癌特性,而其中一种硫代葡萄糖苷在 Cd1 小鼠实体艾氏癌模型的体内实验中显示出抗肿瘤活性.两种化合物均能抑制小鼠 Jb6 Cl41 Luc-Ap-1 细胞中基本的 Ap-1 依赖性转录活性.
Doi:10.1007/s11172-022-3438-X

专利信息

专利号:WO-2025056767-A1
优先权日:2023-09-15
标题 :Process for the preparation of enantiomerically enriched aliphatic amines
发明人：BOU HAMDAN FARHAN; GODINEAU EDOUARD; SMEJKAL TOMAS; DUMEUNIER RAPHAEL; BOUSSEMGHOUNE MOHAMED ABDELOUAHAB; BLUM MATHIAS
权利人:SYNGENTA CROP PROTECTION AG
摘要:The present invention relates to a process for the preparation of enantiomerically enriched cyclobutylamines of formula (I) from Î±-tertiary cyclobutanones and reacting said enantiomerically enriched cyclobutylamines to enantiomerically enriched cyclobutylamides. Such compounds are useful intermediates in the synthesis of microbiocidal thiazole compounds.

专利号:WO-2008147826-A1
优先权日:2007-05-22
标题:Malaria liver stage drugs
发明人：KAPPE STEFAN H I; TARUN ALICE; VAUGHAN ASHLEY
权利人:SEATTLE BIOMEDICAL RES INST; KAPPE STEFAN H I; TARUN ALICE; VAUGHAN ASHLEY
摘要:The invention provides methods for inhibiting the growth of liver stage Plasmodium parasites using inhibitors of apicoplast fatty acid synthesis. The invention further provides methods for preventing malaria and methods for treating Plasmodium infections.

专利号:WO-2021009026-A1
优先权日:2019-07-12
标题 :Methyl 2-[(4-methoxyimino-tetralin-6-yl]prop-2-enoate derivatives, chromane, isochromane, 6,7,8,9-tetrahydrobenzo[7]annulene, 1h-isobenzofurane and indane analogues thereof, and similar compounds, as agrochemical fungicides
发明人：WEISS MATTHIAS; WILLIAMS SIMON; RENDINE STEFANO; BOU HAMDAN FARHAN; HOFFMAN THOMAS; QUARANTA LAURA
权利人:SYNGENTA CROP PROTECTION AG
摘要:Compounds of formula (I): (Formula (I)) Formula (I) encompasses e.g. tetraline, chromane, isochromane, 6,7,8,9-tetrahydrobenzo[7]annulene, 1H-isobenzofurane and indane derivatives. The compounds of formula (I) are useful as a pesticides, especially as fungicides. The present description discloses the synthesis and characterisation of exemplary compounds as well as biological data thereof (e.g. pages 53 to 78; examples 1 to 10; table T1; compounds 1.1 to 1.54; examples A and B). Preferred compounds are e.g.: Methyl (E)-3-methoxy-2-[(4E)-4-methoxyimino-7-methyl-tetralin-6- yl]prop-2-enoate (example 2; compound 1.6 of table T1): (Formula (A)). Methyl (E)-3-methoxy-2-[(4Z)-4-methoxyiminoisochroman-6-yl]prop-2- enoate (example 6; compound 1.39 of table T1): (Formula (B))