N-Hexyl-N'-phenylurea

Base Information

• Chemical Name: N-Hexyl-N'-phenylurea
• CAS No.: 1142-07-0
• Molecular Formula: C13H20N2O
• Molecular Weight: 220.315
• DSSTox Substance ID: DTXSID20366094
• Nikkaji Number: J1.483.674H
• Wikidata: Q82151179
• ChEMBL ID: CHEMBL1469609
• Mol file: 1142-07-0.mol

Synonyms:N-Hexyl-N'-phenylurea;1-hexyl-3-phenylurea;1142-07-0;Urea, N-hexyl-N'-phenyl-;SMR000103044;MLS000106073;3-HEXYL-1-PHENYLUREA;SCHEMBL4603476;CHEMBL1469609;DTXSID20366094;REGID_for_CID_2057897;BDBM129234;HMS2449A18;BAA14207;AKOS003850427;AB00082529-01;SR-01000206651;US8815951, 157;SR-01000206651-1

Chemical Property of N-Hexyl-N'-phenylurea

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 220.157563266
• Heavy Atom Count: 16
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC(=O)NC1=CC=CC=C1

Technology Process of N-Hexyl-N'-phenylurea

There total 7 articles about N-Hexyl-N'-phenylurea 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: 96.0%

hexan-1-amine (111-26-2) + carbon monoxide (201230-82-2) + nitrobenzene (98-95-3,26969-40-4) → 1-n-hexyl-3-phenyl-urea (1142-07-0)

Guidance literature:

With iron(III) chloride; In methanol; N,N-dimethyl-formamide; at 120 ℃; for 5h; under 45603.1 Torr; Catalytic behavior; Autoclave;

DOI:10.1016/j.jorganchem.2014.08.017

Reference yield: 84.0%

iodobenzene (591-50-4) + chloroform (67-66-3,8013-54-5) + hexan-1-amine (111-26-2) → 1-n-hexyl-3-phenyl-urea (1142-07-0)

Guidance literature:

With sodium azide; palladium 10% on activated carbon; potassium hydroxide; XPhos; In water; at 60 ℃; for 12h;

DOI:10.1002/adsc.201800954

Reference yield: 72.0%

hexan-1-amine (111-26-2) + oxanilic acid (500-72-1) → 1-n-hexyl-3-phenyl-urea (1142-07-0)

Guidance literature:

oxanilic acid; In 1,2-dichloro-ethane; at 25 ℃; for 24h; Irradiation; Sealed tube;

With triethylamine; In 1,2-dichloro-ethane; at 25 ℃;

hexan-1-amine; In 1,2-dichloro-ethane; at 25 ℃; for 6h;

DOI:10.1016/j.tetlet.2020.151962

upstream raw materials:

hexan-1-amine

carbon monoxide

aniline

bis(trichloromethyl) carbonate

Downstream raw materials:

3-hexyl-1-phenyl-imidazolidine-2,4-dione

4-[[(hexylamino)carbonyl]-amino]benzenesulfonyl chloride

1-[4-(4-aminomethyl-piperidine-1-sulfonyl)-phenyl]-3-hexyl-urea

4-(3-hexyl-2,4-dioxo-imidazolidin-1-yl)-benzenesulfonyl chloride