3-(4-Chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea
• CAS No.: 6110-38-9
• Molecular Formula: C11H14 O3
• Molecular Weight: 362.8968
• DSSTox Substance ID: DTXSID70976622
• Wikidata: Q82961563
• ChEMBL ID: CHEMBL1311324

Synonyms:SMR000105897;MLS000109964;CBMicro_005237;Oprea1_624498;Oprea1_731252;MLS003905142;CHEMBL1311324;DTXSID70976622;HMS2325N11;SMSF0014137;STK330337;AKOS003661053;CB07281;BIM-0005334.P001;3-(4-chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea;N'-(4-Chlorophenyl)-N,N-bis[(thiophen-2-yl)methyl]urea

Chemical Property of 3-(4-Chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea

Chemical Property:

• Vapor Pressure: 2E-13mmHg at 25°C
• Boiling Point: 579.5°Cat760mmHg
• Flash Point: 304.3°C
• Density: 1.403g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 362.0314331
• Heavy Atom Count: 23
• Complexity: 373

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)CN(CC2=CC=CS2)C(=O)NC3=CC=C(C=C3)Cl

Technology Process of 3-(4-Chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea

There total 5 articles about 3-(4-Chlorophenyl)-1,1-bis(thiophen-2-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:

dimethyl sulfate (77-78-1) → 2,4-dimethoxy-6-methylacetophenone (6110-38-9)

Guidance literature:

With alkaline solution;

Reference yield:

1,3-dimethoxy-5-methylbenzene (4179-19-5) + acetyl chloride (75-36-5) → 2,4-dimethoxy-6-methylacetophenone (6110-38-9)

Guidance literature:

With tin(IV) chloride;

DOI:10.1039/jr9570001104

Reference yield:

1-(2,4-dihydroxy-6-methylphenyl)ethanone (703-29-7) + dimethyl sulfate (77-78-1) → 2,4-dimethoxy-6-methylacetophenone (6110-38-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

1,3-dimethoxy-5-methylbenzene

acetyl chloride

1-(2,4-dihydroxy-6-methylphenyl)ethanone

dimethyl sulfate

Downstream raw materials:

1-(2,4-dimethoxy-6-methyl-phenyl)-3-phenyl-propane-1,3-dione

1-(2,4-dimethoxy-6-methyl-phenyl)-3-(3,4-dimethoxy-phenyl)-propane-1,3-dione

1-(2,4-dimethoxy-6-methyl-phenyl)-4-phenyl-butane-1,3-dione

4-(2,4-dimethoxy-6-methyl-benzoyl)-dihydro-furan-2,3-dione

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