Benzenamine, 4-(4-bromo-5-methyl-2-thienyl)-N,N-dimethyl-

Base Information

• Chemical Name: Benzenamine, 4-(4-bromo-5-methyl-2-thienyl)-N,N-dimethyl-
• CAS No.: 813450-64-5
• Molecular Formula: C13H14BrNS
• Molecular Weight: 296.231
• DSSTox Substance ID: DTXSID30479528
• Nikkaji Number: J2.196.203A
• Wikidata: Q82313611
• Mol file: 813450-64-5.mol

Synonyms:Benzenamine, 4-(4-bromo-5-methyl-2-thienyl)-N,N-dimethyl-;813450-64-5;SCHEMBL5690630;DTXSID30479528

Chemical Property of Benzenamine, 4-(4-bromo-5-methyl-2-thienyl)-N,N-dimethyl-

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 295.00303
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(S1)C2=CC=C(C=C2)N(C)C)Br

Technology Process of Benzenamine, 4-(4-bromo-5-methyl-2-thienyl)-N,N-dimethyl-

There total 5 articles about Benzenamine, 4-(4-bromo-5-methyl-2-thienyl)-N,N-dimethyl- 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: 85.0%

4-bromo-N,N-dimethylaniline (586-77-6) + 3-bromo-2-methylthiophene-5-boronic acid (154566-69-5) → 3-bromo-2-methyl-5-(p-(N,N-dimethylamino)phenyl)thiophene (813450-64-5)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In tetrahydrofuran; at 80 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.202014878

Reference yield: 75.0%

3,5-dibromo-2-methylthiophene (29421-73-6) + 4-(dimethylamino)benzene-boronic acid (28611-39-4) → 3-bromo-2-methyl-5-(p-(N,N-dimethylamino)phenyl)thiophene (813450-64-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In tetrahydrofuran; water; Inert atmosphere; Reflux;

DOI:10.1021/ic2025457

Reference yield: 31.0%

formic acid (64-18-6) + C11H10BrNS → 3-bromo-2-methyl-5-(p-(N,N-dimethylamino)phenyl)thiophene (813450-64-5)

Guidance literature:

With triethylamine; In dimethyl sulfoxide;

upstream raw materials:

4-bromo-N,N-dimethylaniline

3-bromo-2-methylthiophene-5-boronic acid

3,5-dibromo-2-methylthiophene

4-(dimethylamino)benzene-boronic acid

Downstream raw materials:

4,4'-bis((E)-2-(4-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-p-N,N-dimethylaminophenylthiophen-3-yl)cyclopenten-1-yl)-5-methylthiophen-2-yl)vinyl)-2,2'-bipyridine

C₅₃H₅₃F₆N₃PtS₂

4-[4-(2,3,3,4,4,5,5-heptafluorocyclopent-1-en-1-yl)-5-methylthiophen-2-yl]-N,N-dimethylaniline

1,2-bis[2-methyl-5-(p-(N,N-dimethylamino)phenyl)-3-thienyl]perfluorocyclopentene