3-(4-Chlorophenyl)-1,1-diethylthiourea

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-1,1-diethylthiourea
• CAS No.: 24486-01-9
• Molecular Formula: C11H15 Cl N2 S
• Molecular Weight: 242.7682
• DSSTox Substance ID: DTXSID70410894
• NSC Number: 190417
• Mol file: 24486-01-9.mol

Synonyms:24486-01-9;3-(4-chlorophenyl)-1,1-diethylthiourea;NSC190417;DTXSID70410894;AKOS003721017;NSC-190417

Chemical Property of 3-(4-Chlorophenyl)-1,1-diethylthiourea

Chemical Property:

• Vapor Pressure: 0.000417mmHg at 25°C
• Boiling Point: 316.2°C at 760 mmHg
• Flash Point: 145°C
• Density: 1.219g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 242.0644474
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)NC1=CC=C(C=C1)Cl

Technology Process of 3-(4-Chlorophenyl)-1,1-diethylthiourea

There total 2 articles about 3-(4-Chlorophenyl)-1,1-diethylthiourea 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: 75.0%

zinc diethyldithiocarbamate + 4-chloro-aniline (106-47-8) → 1.1-Diaethyl-3-(4-chlor-phenyl)-thioharnstoff (24486-01-9)

Guidance literature:

With triethanolamine; triethylamine; In N,N-dimethyl-formamide; at 65 - 70 ℃; for 2.5h;

Reference yield:

disulfiram (97-77-8) + 4-chloro-aniline (106-47-8) → 1.1-Diaethyl-3-(4-chlor-phenyl)-thioharnstoff (24486-01-9)

Guidance literature:

In N,N-dimethyl-formamide; for 2.5h; Heating;

DOI:10.1080/00397919508013859

Reference yield:

1.1-Diaethyl-3-(4-chlor-phenyl)-thioharnstoff (24486-01-9) + 1-Bromopinacolon (5469-26-1) → N'-(4-Chloro-phenyl)-N,N-diethyl-4,4-dimethyl-3-oxo-pentanamidine

Guidance literature:

Multistep reaction; (i), (ii) Ph₃P;

upstream raw materials:

disulfiram

4-chloro-aniline

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