1-Tert-butyl-3-(3-chlorophenyl)urea

Base Information

• Chemical Name: 1-Tert-butyl-3-(3-chlorophenyl)urea
• CAS No.: 414897-78-2
• Molecular Formula: C₁₁H₁₅ClN₂O
• Molecular Weight: 226.706
• European Community (EC) Number: 645-259-6
• DSSTox Substance ID: DTXSID10353812
• Nikkaji Number: J3.066.105B
• Wikidata: Q82131613
• Mol file: 414897-78-2.mol

Synonyms:1-tert-butyl-3-(3-chlorophenyl)urea;414897-78-2;N-(tert-butyl)-N'-(3-chlorophenyl)urea;CBDivE_015816;SCHEMBL21116150;DTXSID10353812;STK413392;AKOS000498024;AE-848/32798058;SR-01000203118;SR-01000203118-1

Chemical Property of 1-Tert-butyl-3-(3-chlorophenyl)urea

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.0872908
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

N-(tert-butyl)-N'-(3-chlorophenyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)NC1=CC(=CC=C1)Cl

Technology Process of 1-Tert-butyl-3-(3-chlorophenyl)urea

There total 4 articles about 1-Tert-butyl-3-(3-chlorophenyl)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: 84.0%

3-chloro-N-hydroxybenzamide (4070-53-5) + tert-butylamine (75-64-9) → 1-(tert-butyl)-3-(3-chlorophenyl)urea (414897-78-2)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; carbon tetrabromide; N,N-dimethyl-formamide; In acetonitrile; at 20 ℃; for 12h; Inert atmosphere; Irradiation; Green chemistry;

DOI:10.1039/c4ra03805c

Reference yield: 81.0%

N-(3-chlorophenyl)cyanamide (54507-99-2) + tert-butyl alcohol (75-65-0) → 1-(tert-butyl)-3-(3-chlorophenyl)urea (414897-78-2)

Guidance literature:

With iron(III) chloride; acetic acid; In 1,2-dichloro-ethane; for 5.5h; Reflux;

DOI:10.1039/c2ob06916d

Reference yield: 62.0%

tert-butylamine (75-64-9) + (1H-benzo[d][1,2,3]triazol-1-yl)(3-chlorophenyl)methanone (92133-96-5) → 1-(tert-butyl)-3-(3-chlorophenyl)urea (414897-78-2)

Guidance literature:

With trimethylsilylazide; triethylamine; In toluene; at 110 ℃; for 1h; Sealed tube;

DOI:10.1055/s-0039-1689937

upstream raw materials:

N-(3-chlorophenyl)cyanamide

tert-butyl alcohol

3-chloro-aniline

3-chloro-N-hydroxybenzamide

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