1-[(4-Tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea

Base Information

• Chemical Name: 1-[(4-Tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea
• CAS No.: 5873-91-6
• Molecular Formula: C28H34N2O
• Molecular Weight: 168.284
• DSSTox Substance ID: DTXSID40410785

Synonyms:5873-91-6;1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea;DTXSID40410785

Chemical Property of 1-[(4-Tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea

Chemical Property:

• Vapor Pressure: 8.34E-14mmHg at 25°C
• Boiling Point: 588°C at 760 mmHg
• Flash Point: 309.4°C
• Density: 1.078g/cm³
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 414.267113712
• Heavy Atom Count: 31
• Complexity: 532

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C(C)C3=CC=CC=C3

Technology Process of 1-[(4-Tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea

There total 6 articles about 1-[(4-Tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)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:

carbon disulfide (75-15-0,12122-00-8) + benzyl chloride (100-44-7) → phenyldithioacetic acid (5873-91-6)

Guidance literature:

benzyl chloride; With magnesium; In diethyl ether; for 3h; Heating;

carbon disulfide; at 0 ℃; for 2h;

DOI:10.1039/b101794m

Reference yield:

phenylacetyl chloride (103-80-0) → phenyldithioacetic acid (5873-91-6)

Guidance literature:

With hydrogen sulfide;

Reference yield:

Dithiophenylessigsaeure-ethylester (20568-14-3) → phenyldithioacetic acid (5873-91-6)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

Dithiophenylessigsaeure-ethylester

phenylacetyl chloride

carbon oxide sulfide

phenylmagnesium bromide

Downstream raw materials:

phenyl-acetaldehyde phenylhydrazone

1-phenyl-2-phenylthioacetylhydrazine

(2-phenyl-thioacetylamino)-malonic acid diethyl ester

N-phenylthioacetyl-alanine

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