1-Phenyl-3-(pyridin-4-ylmethyl)urea

Base Information

• Chemical Name: 1-Phenyl-3-(pyridin-4-ylmethyl)urea
• CAS No.: 35017-43-7
• Molecular Formula: C13H13N3O
• Molecular Weight: 227.266
• European Community (EC) Number: 667-025-2
• NSC Number: 204135
• DSSTox Substance ID: DTXSID70308444
• Nikkaji Number: J361.143D
• Wikidata: Q82056332
• ChEMBL ID: CHEMBL1565148
• Mol file: 35017-43-7.mol

Synonyms:35017-43-7;1-phenyl-3-(pyridin-4-ylmethyl)urea;1-Phenyl-3-pyridin-4-ylmethyl-urea;1-phenyl-3-[(pyridin-4-yl)methyl]urea;N-PHENYL((4-PYRIDYLMETHYL)AMINO)FORMAMIDE;NSC204135;MLS000528925;CHEMBL1565148;SCHEMBL11616834;DTXSID70308444;HMS1692A20;HMS2334K05;MFCD00088631;N-phenyl-N'-(4-pyridinylmethyl)urea;AKOS000545836;MS-8563;NSC-204135;SMR000121400;3-[(pyridin-4-yl) methyl]-1-phenylurea;CS-0295227;SR-01000366798;SR-01000366798-1;Z44591861

Chemical Property of 1-Phenyl-3-(pyridin-4-ylmethyl)urea

Chemical Property:

• Vapor Pressure: 1.87E-06mmHg at 25°C
• Boiling Point: 395.2°C at 760 mmHg
• Flash Point: 192.8°C
• Density: 1.226g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.105862047
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NCC2=CC=NC=C2

Technology Process of 1-Phenyl-3-(pyridin-4-ylmethyl)urea

There total 4 articles about 1-Phenyl-3-(pyridin-4-ylmethyl)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: 90.0%

4-(aminomethyl)pyridine (3731-53-1) + phenyl isocyanate (103-71-9) → 1-phenyl-3-((pyridin-4-yl)methyl)urea (35017-43-7)

Guidance literature:

In diethyl ether; at 20 ℃;

DOI:10.1039/d1ce00481f

Reference yield: 60.0%

1-nitroso-1-phenyl-3-(4-pyridylmethyl)-urea (87344-98-7) → 1,3-bis((pyridine-4-yl)methyl)urea (84824-90-8) + 1-phenyl-3-((pyridin-4-yl)methyl)urea (35017-43-7)

Guidance literature:

In acetone; for 1h; Heating;

DOI:10.1248/cpb.38.3226

Reference yield: 5.0%

1-nitroso-1-phenyl-3-(4-pyridylmethyl)-urea (87344-98-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-(aminomethyl)pyridine (3731-53-1) + biphenyl (92-52-4,1594-86-1) + 1-phenyl-3-((pyridin-4-yl)methyl)urea (35017-43-7)

Guidance literature:

at 70 ℃; for 0.166667h;

DOI:10.1248/cpb.34.385

upstream raw materials:

1-nitroso-1-phenyl-3-(4-pyridylmethyl)-urea

benzene

4-(aminomethyl)pyridine

phenyl isocyanate

Downstream raw materials:

3-nitroso-1-phenyl-3-(4-pyridylmethyl)urea

1-nitroso-1-phenyl-3-(4-pyridylmethyl)-urea