(2-Fluorophenyl)urea

Base Information

• Chemical Name: (2-Fluorophenyl)urea
• CAS No.: 656-31-5
• Molecular Formula: C7H7 F N2 O
• Molecular Weight: 154.144
• Hs Code.: 2924299090
• European Community (EC) Number: 211-513-6
• NSC Number: 204323
• UNII: 96AN4P4BDX
• DSSTox Substance ID: DTXSID00215854
• Nikkaji Number: J205.949E
• Wikidata: Q83091970
• Mol file: 656-31-5.mol

Synonyms:(2-Fluorophenyl)urea;656-31-5;2-FLUOROPHENYLUREA;1-(2-fluorophenyl)urea;N-(2-Fluorophenyl)urea;(o-Fluorophenyl)urea;EINECS 211-513-6;NSC-204323;NSC204323;Urea, (o-fluorophenyl)-;96AN4P4BDX;Urea, N-(2-fluorophenyl)-;SCHEMBL157188;DTXSID00215854;MFCD00014786;STL124181;AKOS000200398;NSC 204323;MS-11461;CS-0237075;FT-0629133;EN300-17760;DiethylN-[4-(methylamino)benzoyl]-L-glutamate;A835167;J-522920;Z57028527

Chemical Property of (2-Fluorophenyl)urea

Chemical Property:

• Vapor Pressure: 0.0748mmHg at 25°C
• Melting Point: 186-188°C
• Boiling Point: 228.1°C at 760 mmHg
• Flash Point: 91.7°C
• PSA: 55.12000
• Density: 1.353g/cm³
• LogP: 2.08960
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.05424101
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2-fluorophenyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Fluorophenyl)urea

There total 9 articles about (2-Fluorophenyl)urea 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: 83.0%

N-(2-fluorophenyl)thiourea (656-32-6) → 1-(2-fluorophenyl)urea (656-31-5)

Guidance literature:

With trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane; water; potassium hydroxide; In acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1080/17415993.2015.1082181

Reference yield:

1-Fluoro-2-isocyanato-benzene (16744-98-2) → 1-(2-fluorophenyl)urea (656-31-5)

Guidance literature:

With ammonia; water; In acetone; at 0 - 20 ℃;

DOI:10.4314/bcse.v27i2.15

Reference yield:

C14H13FN2O (316180-88-8) → 1-(2-fluorophenyl)urea (656-31-5)

Guidance literature:

With hydrogenchloride; palladium on carbon; hydrogen; In methanol; water; at 20 ℃; for 20h; under 760.051 Torr;

DOI:10.1021/ol201210t

upstream raw materials:

2-Fluoroaniline

sodium fulminate

sodium isocyanate

C₁₄H₁₃FN₂O

Downstream raw materials:

N-(2-Fluor-phenyl)-N'-cyanacetyl-harnstoff

ethyl 2-(2-fluorophenylamino)-4-(trifluoromethyl)oxazole-5-carboxylate

1-((E)-2-Cyano-3-oxo-3-phenyl-propenyl)-3-(2-fluoro-phenyl)-urea

Refernces

• 1、 Azarifar, Davood,Golbaghi, Maryam. "Selective and facile oxidative desulfurization of thioureas and thiobarbituric acids with singlet molecular oxygen generated from trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane". . p. 1 - 13. Retrieved 2016/02/12.
• 2、 Chavan, Sunil S.,Degani, Mariam S.. "Ionic liquid mediated one-pot synthesis of 6-aminouracils". supporting information; experimental part. p. 296 - 299. Retrieved 2012/03/26.