2-(2,6-Dichlorophenyl)ethanethioamide

Base Information

• Chemical Name: 2-(2,6-Dichlorophenyl)ethanethioamide
• CAS No.: 17518-49-9
• Molecular Formula: C8H7 Cl2 N S
• Molecular Weight: 220.122
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50372481
• Nikkaji Number: J2.025.315K
• Wikidata: Q82160214
• Mol file: 17518-49-9.mol

Synonyms:2-(2,6-dichlorophenyl)ethanethioamide;17518-49-9;2-(2,6-Dichlorophenyl)Thioacetamide;HMS565F11;Maybridge1_008393;SCHEMBL4276985;2,6-Dichlorobenzenethioacetamide;DTXSID50372481;CCG-47783;MFCD00052483;AKOS009158452;BENZENEETHANETHIOAMIDE,2,6-DICHLORO-;CS-0215561;FT-0608413;EN300-261181;A881620;2-(2,6-Dichlorophenyl)ethanethioamide, AldrichCPR;SR-01000637376-1

Chemical Property of 2-(2,6-Dichlorophenyl)ethanethioamide

Chemical Property:

• Vapor Pressure: 8.39E-05mmHg at 25°C
• Melting Point: 189-191°C
• Boiling Point: 340.8°Cat760mmHg
• Flash Point: 159.9°C
• PSA: 58.11000
• Density: 1.421g/cm³
• LogP: 3.52230
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 218.9676258
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

2-(2,6-Dichlorophenyl)Ethanethioamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)CC(=S)N)Cl

Technology Process of 2-(2,6-Dichlorophenyl)ethanethioamide

There total 1 articles about 2-(2,6-Dichlorophenyl)ethanethioamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 2-(2,6-dichlorophenyl)ethanethioamide (17518-49-9)

Guidance literature:

2,6-Dichlorphenylacetonitril, H2S;

Reference yield: 80.0%

2-(2,6-dichlorophenyl)ethanethioamide (17518-49-9) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) → 2-(2,6-dichloro-benzyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester (263756-90-7)

Guidance literature:

With pyridine; In ethanol; Heating;

DOI:10.1016/j.bmcl.2005.08.100

Reference yield: 60.0%

2-bromo-1-(6-methoxy-2-naphthyl)ethanone (10262-65-4) + 2-(2,6-dichlorophenyl)ethanethioamide (17518-49-9) → 2-(2,6-dichlorobenzyl)-4-(6-methoxy-2-naphthyl)-1,3-thiazole (878796-46-4)

Guidance literature:

2-bromo-1-(6-methoxy-2-naphthyl)ethanone; 2-(2,6-dichlorophenyl)ethanethioamide; In ethanol; for 3h; Heating / reflux;

With sodium hydrogencarbonate; In methanol; dichloromethane; water;

Downstream raw materials:

2-(2,6-dichloro-benzyl)-thiazole-4-carboxylic acid ethyl ester

ethyl 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-5-carboxylate

2-(2,6-dichloro-benzyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester

2-(2,6-dichloro-benzyl)-thiazole-5-carboxylic acid

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