P-Tolylurea

Base Information

• Chemical Name: P-Tolylurea
• CAS No.: 622-51-5
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2924299090
• European Community (EC) Number: 210-739-2
• NSC Number: 66557
• UNII: JCJ6M4A3I5
• DSSTox Substance ID: DTXSID7021366
• Nikkaji Number: J30.211B
• Wikidata: Q72509340
• ChEMBL ID: CHEMBL3187464
• Mol file: 622-51-5.mol

Synonyms:4-tolylurea;p-tolylurea

Chemical Property of P-Tolylurea

Chemical Property:

• Appearance/Colour: beige crystalline powder
• Vapor Pressure: 0.0166mmHg at 25°C
• Melting Point: 178-181 °C
• Refractive Index: 1.6180 (estimate)
• Boiling Point: 255℃
• PKA: 14.61±0.50(Predicted)
• Flash Point: 108℃
• PSA: 55.12000
• Density: 1.192
• LogP: 2.25890
• Storage Temp.: 2-8°C
• Water Solubility.: 3.07g/L(45 oC)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

97% ^*data from raw suppliers

p-Tolylurea ^*data from reagent suppliers

Safty Information:

• Statements: 33
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)N

Technology Process of P-Tolylurea

There total 58 articles about P-Tolylurea 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: 95.0%

N-(4-methylphenyl)cyanamide (10532-64-6) → p-tolylurea (622-51-5)

Guidance literature:

With silver; water; for 1h; Reflux;

DOI:10.1016/j.saa.2014.04.186

Reference yield: 95.0%

para-methylbenzamide (619-55-6) → p-tolylurea (622-51-5)

Guidance literature:

With [bis(acetoxy)iodo]benzene; ammonia; In methanol; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0040-1707103

Reference yield: 93.0%

p-toluidine (106-49-0,12221-03-3) + urea (57-13-6) → p-tolylurea (622-51-5)

Guidance literature:

urea; With mannitol; citric acid; at 80 ℃;

p-toluidine; With iodine; at 80 ℃; for 10h;

DOI:10.1080/00304948.2014.944408

upstream raw materials:

cyanic acid

p-tolyl-carbamoyl fluoride

p-toluidine hydrochloride

isopropenyl isocyanate

Downstream raw materials:

N-(p-tolyl)succinimide

N-p-tolyl-N'-(2,2,2-trichloro-1-hydroxy-ethyl)-urea

1,3-di-p-tolylurea

3-(4-methylphenyl)quinazoline-2,4(1H,3H)-dione