1-(5-Chloropyridin-2-yl)-3-phenylurea

Base Information

• Chemical Name: 1-(5-Chloropyridin-2-yl)-3-phenylurea
• CAS No.: 10461-91-3
• Molecular Formula: C12H10ClN3O
• Molecular Weight: 247.684
• DSSTox Substance ID: DTXSID50356387
• Nikkaji Number: J2.171.737A
• Wikidata: Q82135694
• Mol file: 10461-91-3.mol

Synonyms:1-(5-chloropyridin-2-yl)-3-phenylurea;10461-91-3;N-(5-chloro-2-pyridinyl)-N'-phenylurea;N-(5-chloropyridin-2-yl)-N/'-phenylurea;DTXSID50356387;STK367531;AKOS003659797;AG-389/30939059;SR-01000225649;SR-01000225649-1

Chemical Property of 1-(5-Chloropyridin-2-yl)-3-phenylurea

Chemical Property:

• PSA: 57.51000
• LogP: 3.46560
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.0512396
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NC2=NC=C(C=C2)Cl

Technology Process of 1-(5-Chloropyridin-2-yl)-3-phenylurea

There total 7 articles about 1-(5-Chloropyridin-2-yl)-3-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: 94.0%

2,5 dichloropyridine (16110-09-1) + phenyl carbamate (64-10-8) → N-(5-chloropyridin-2-yl)-N'-phenylurea (10461-91-3)

Guidance literature:

With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate; palladium diacetate; In 1,4-dioxane; at 100 ℃; for 3.5h;

DOI:10.1055/s-2005-861844

Reference yield: 84.0%

5-chloro-2-pyridylamine (1072-98-6) + benzamide (55-21-0,27208-38-4) → N-(5-chloropyridin-2-yl)-N'-phenylurea (10461-91-3)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In acetonitrile; at 80 ℃; for 4h; Sealed tube;

DOI:10.1039/d1nj03160k

Reference yield: 72.0%

5-chloro-2-pyridylamine (1072-98-6) + carbon monoxide (201230-82-2) + nitrobenzene (98-95-3,26969-40-4) → N-(5-chloropyridin-2-yl)-N'-phenylurea (10461-91-3)

Guidance literature:

With selenium; triethylamine; In toluene; at 130 ℃; for 4h;

upstream raw materials:

5-chloro-2-pyridylamine

phenyl isocyanate

carbon monoxide

nitrobenzene