2-(2,4-Dichlorophenyl)ethanethioamide

Base Information

• Chemical Name: 2-(2,4-Dichlorophenyl)ethanethioamide
• CAS No.: 883946-62-1
• Molecular Formula: C8H7 Cl2 N S
• Molecular Weight: 220.122
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60372634
• Wikidata: Q82160448
• ChEMBL ID: CHEMBL1532754
• Mol file: 883946-62-1.mol

Synonyms:883946-62-1;2-(2,4-dichlorophenyl)ethanethioamide;2-(2,4-Dichlorophenyl)thioacetamide;HMS2796F09;Maybridge4_004710;MLS000860509;CHEMBL1532754;SCHEMBL14108767;DTXSID60372634;MFCD01313630;2-(2.4-dichlorophenyl)ethanethioamide;AKOS000157379;CCG-255275;NCGC00175610-01;SMR000458593;EN300-1263945;BRD-K31658808-001-01-5

Chemical Property of 2-(2,4-Dichlorophenyl)ethanethioamide

Chemical Property:

• Melting Point: 151-155°C
• PSA: 58.11000
• LogP: 3.52230
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 218.9676258
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

2-(2,4-DICHLOROPHENYL)THIOACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CC(=S)N

Technology Process of 2-(2,4-Dichlorophenyl)ethanethioamide

There total 3 articles about 2-(2,4-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: 81.0%

2,4-Dichlorophenylacetonitrile (6306-60-1) → 2-(2,4-dichlorophenyl)ethanethioamide (883946-62-1)

Guidance literature:

With hydrogenchloride; O,O-Diethyl hydrogen phosphorodithioate; In ethyl acetate; at 20 ℃;

Reference yield:

2-(2,4-dichlorophenyl)acetamide (55954-27-3) → 2-(2,4-dichlorophenyl)ethanethioamide (883946-62-1)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; at 80 ℃; for 12h;

DOI:10.1016/j.bmcl.2021.127846

Reference yield:

2,4-dichlorophenylacetyl chloride (53056-20-5) → 2-(2,4-dichlorophenyl)ethanethioamide (883946-62-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia / tetrahydrofuran / 12 h / 20 °C

2: Lawessons reagent / tetrahydrofuran / 12 h / 80 °C

With Lawessons reagent; ammonia; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2021.127846

upstream raw materials:

2,4-Dichlorophenylacetonitrile

2,4-dichlorophenylacetyl chloride

2-(2,4-dichlorophenyl)acetamide

Downstream raw materials:

tert-butyl [2-(2,4-dichlorobenzyl)-4-methyl-1,3-thiazol-5-yl]carbamate

C₁₆H₁₂Cl₂N₂S

2-(2,4-dichlorobenzyl)-4-methyl-1,3-thiazole-5-carboxylic acid

N-[2-(2,4-dichlorobenzyl)-4-methyl-1,3-thiazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide

Refernces

• 1、 -. "THIAZOLE DERIVATIVE". Page/Page column 126. . Retrieved 2012/12/14.