1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea

Base Information

Chemical Name:1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea
CAS No.:63494-72-4
Molecular Formula:C₁₅H₁₁F₃N₂OS
Molecular Weight:324.326
Hs Code.:
European Community (EC) Number:653-976-0
ChEMBL ID:CHEMBL3087555

Synonyms:CHEMBL3087555;1-benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea;SCHEMBL5455469;NROZYHTZQPNVSC-UHFFFAOYSA-N;BDBM50443487;AKOS024333959

Suppliers and Price of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:324.05441864
Heavy Atom Count:22
Complexity:408

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F

Technology Process of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea

There total 3 articles about 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea 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: 99.0%

: 532-55-8
Benzoyl isothiocyanate

: 88-17-5
2-(trifluoromethyl)benzenamine

: 63494-72-4
N-((2-(trifluoromethyl)phenyl)carbamothioyl)benzamide

Guidance literature:: In acetone; for 1.5h; Reflux;
DOI:10.1002/cmdc.202100067

Reference yield:

: 65-85-0,8013-63-6
benzoic acid

: 63494-72-4
N-((2-(trifluoromethyl)phenyl)carbamothioyl)benzamide

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / N,N-dimethyl-formamide

2: tetrahydrofuran

3: tetrahydrofuran / 0.17 h / 60 - 65 °C / Microwave irradiation

With thionyl chloride; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1016/j.ejmech.2013.10.012

Reference yield:

: 98-88-4
benzoyl chloride

: 63494-72-4
N-((2-(trifluoromethyl)phenyl)carbamothioyl)benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran

2: tetrahydrofuran / 0.17 h / 60 - 65 °C / Microwave irradiation

In tetrahydrofuran;
DOI:10.1016/j.ejmech.2013.10.012