5-Bromo-alpha-(4-chlorophenyl)-3-methyl-2-benzofuranmethanol

Base Information

• Chemical Name: 5-Bromo-alpha-(4-chlorophenyl)-3-methyl-2-benzofuranmethanol
• CAS No.: 117238-58-1
• Molecular Formula: C16H12 Br Cl O2
• Molecular Weight: 351.6223
• DSSTox Substance ID: DTXSID10922365
• Nikkaji Number: J3.437.394I
• Mol file: 117238-58-1.mol

Synonyms:5-Bromo-alpha-(4-chlorophenyl)-3-methyl-2-benzofuranmethanol;2-Benzofuranmethanol, 5-bromo-alpha-(4-chlorophenyl)-3-methyl-;117238-58-1;C16H12BrClO2;C16-H12-Br-Cl-O2;DTXSID10922365;LS-35122;(3-Methyl-5-bromobenzofuran-2-yl)(4-chlorophenyl)methanol;(5-BROMO-3-METHYL-1-BENZOFURAN-2-YL)(4-CHLOROPHENYL)METHANOL

Chemical Property of 5-Bromo-alpha-(4-chlorophenyl)-3-methyl-2-benzofuranmethanol

Chemical Property:

• Vapor Pressure: 7.14E-10mmHg at 25°C
• Boiling Point: 476.1°C at 760 mmHg
• Flash Point: 241.8°C
• Density: 1.539g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 349.97092
• Heavy Atom Count: 20
• Complexity: 332

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=C1C=C(C=C2)Br)C(C3=CC=C(C=C3)Cl)O

Technology Process of 5-Bromo-alpha-(4-chlorophenyl)-3-methyl-2-benzofuranmethanol

There total 5 articles about 5-Bromo-alpha-(4-chlorophenyl)-3-methyl-2-benzofuranmethanol 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: 64.0%

5-bromo-2-(4-chlorobenzoyl)-3-methylbenzofuran (117238-81-0) → C16H12BrClO2 (117238-58-1)

Guidance literature:

With isopropyl alcohol; for 1.5h; Solvent; UV-irradiation; Inert atmosphere;

DOI:10.1007/s11164-014-1544-6

Reference yield: 49.0%

methanol (67-56-1) + 5-bromo-2-(4-chlorobenzoyl)-3-methylbenzofuran (117238-81-0) → C16H12BrClO2 (117238-58-1) + C17H14BrClO3

Guidance literature:

for 1.5h; UV-irradiation; Inert atmosphere;

DOI:10.1007/s11164-014-1544-6

Reference yield:

5-Bromo-2-hydroxyacetophenone (1450-75-5) → C16H12BrClO2 (117238-58-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate; tetra-(n-butyl)ammonium iodide / water / 0.5 h / Reflux; Green chemistry

2: 1.5 h / UV-irradiation; Inert atmosphere

With tetra-(n-butyl)ammonium iodide; sodium carbonate; In water; 1: |Rapp-Stoermer Benzofuran Synthesis;

DOI:10.1007/s11164-014-1544-6

upstream raw materials:

4-chlorobenzoylmethyl bromide

5-bromo-2-(4-chlorobenzoyl)-3-methylbenzofuran

methanol

5-Bromo-2-hydroxyacetophenone