Methyl 3-aminosulfonylthiophene-2-carboxylate (HCID 101012)

名称与标识

首选名称: Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate
IUPAC: methyl 3-sulfamoylthiophene-2-carboxylate
中文名: Methyl 3-aminosulfonylthiophene-2-carboxylate
英文名: Methyl 3-aminosulfonylthiophene-2-carboxylate
分子式: C6H7NO4S2
分子量: 221.25

名称与别名

59337-93-8methyl 3-sulfamoylthiophene-2-carboxylateMethyl 3-aminosulfonylthiophene-2-carboxylate2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl esterMethyl 3-(aminosulfonyl)-2-thiophenecarboxylateDTXSID0044490ESI9CQO80Vmethyl 3-sulfamoyl-2-thiophenecarboxylate3-Sulfamoyl-2-(methoxycarbonyl)thiopheneDTXCID80244902-(METHOXYCARBONYL)THIOPHENE-3-SULFONAMIDERefChem:814943

展开更多名称

噻酚磺胺噻磺酰胺3-氨磺酰基噻吩-2-羧酸甲酯3-磺酰氨基-2-噻吩羧酸甲酯3-磺酰氨基-2-噻吩甲酸甲酯3-氨基磺酰基噻吩-2-甲酸甲酯3-氨基磺酰基噻吩-2-羧酸甲酯噻吩磺胺(3-磺酰氨基-2-噻吩)CL2203-aminosuLMethyl 3-aminosulfon3-Sulfonyl amino thiopheneMETHYL 3-SULFAMOYLTHIOPHENE-2-CARBOXYLA&2-METHOXYCARBONYL-THIOPHENE-3-SULFONAMIDE2-(METHOXYCARBONYL)-THIOPHENE-3-SULFON-AMIDethyl 3-aminosulfonylthiophene-2-carboxylatemethyl-(3-aminosulfonylthiophen-2-carboxylate)

402-050-2611-820-9methyl 3-(aminosulfonyl)thiophene-2-carboxylateMFCD017608632-ester-3-sulfonamide (IN-A5546)AKOS000145887methyl 3-sulfamoylthiophene-2carboxylateMethyl 3-sulfamoylthiophen-2-carboxylate

数据库标识

CAS: 59337-93-8
PubChem CID: 101012
DTXSID: DTXSID0044490
ChEMBL: CHEMBL3184199
UNII: ESI9CQO80V
EC Number: 402-050-2、611-820-9
Nikkaji: J719.382C

性质

结构计算性质

XLogP: 0.4
极性表面积: 123 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 294

实验与物化性质

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physical DescriptionCBI

Collision Cross Section148.5 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044490]

物理化学性质

熔点: 123 · 123-124 °C(Solv: water (7732-18-5))
沸点: 428.3 · 428.3±55.0 °C(Predicted)
密度: 1.517 · 1.517±0.06 g/cm3(Predicted)
储存条件: Keep in dark place,Sealed in dry,Room Temperature
酸度系数(pKa): 9.55 · 9.55±0.60(Predicted)
外观: White to yellow Solid
EPA化学物质信息: 2 · 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester (59337-93-8)

化学性质

本品为白色结晶状物质，不溶于水，溶于甲苯、乙腈、乙醇等有机溶剂。

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危害信息

Regulatory Information · 3 条

2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4438

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

tsca: TSCA listed
危险等级: IRRITANT
安全说明: 26-36/37
危险品标志: Xi
危险类别码: 36-43

化学与工业

用途与制造

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information · 2 条

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester: ACTIVE

应用领域

用途3-氨基磺酰基噻吩-2-羧酸甲酯是磺酰脲类除草剂噻酚磺隆的中间体。

用途用于合成噻磺隆除草剂，也可用于合成医药产品

制备方法 · 1 条

生产方法其制备方法是在反应釜中加入3-氨基噻吩-2-羧酸甲酯，再加入乙酸和盐酸，搅拌至一定温度(一般在-5℃)，向釜内滴加亚硝酸钠水溶液，保持一定温度，滴加时间约10h，保温反应1h。在另一反应釜中加入上述重氮液和一定量的盐酸和乙酸及氯化铜催化剂搅拌，冷却至一定温度，通入二氧化硫，通气反应时间约8h，再保温8h，加水抽滤，并用水洗，该化合物是磺酰氯。在氨化釜中加入3-磺酰氯基噻吩-2-羧酸甲酯和一定量的溶剂，搅拌通入氨气，直至温度不上升为止，约6 h，再保温1 h，抽入水洗锅水洗，并冷至一定温度，抽滤，分层，有机层回收溶剂得成品。

上下游产品信息

上游原料

3-氨基-2-噻吩甲酸甲酯三氯甲烷亚硝酸钠氯化铵 3-氯磺酰基-2-噻吩甲酸甲酯浓硫酸 methyl 3-[({[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]-2-thiophene methyl carboxylate 噻吩黄隆

试剂价格

XW025933793803 · 5g: 噻吩磺胺(3-磺酰氨基-2-噻吩)Methyl 3-sulfamoylthiophene-2-carboxylate — 285元
XW025933793802 · 1g: 噻吩磺胺(3-磺酰氨基-2-噻吩)Methyl 3-sulfamoylthiophene-2-carboxylate — 75元

供应商50 家

上海康恩博医药科技有限公司17510465506 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

湖北成丰化工有限公司13125175253 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

关联笔记

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Methyl 3-aminosulfonylthiophene-2-carboxylate

基本信息