4-Acetoxy-4'-bromobiphenyl

Base Information

• Chemical Name: 4-Acetoxy-4'-bromobiphenyl
• CAS No.: 84244-98-4
• Molecular Formula: C14H11 Br O2
• Molecular Weight: 291.144
• Hs Code.: 2915390090
• NSC Number: 95827
• DSSTox Substance ID: DTXSID00294326
• Nikkaji Number: J381.673G
• Wikidata: Q82033573
• Mol file: 84244-98-4.mol

Synonyms:4-Acetoxy-4'-bromobiphenyl;84244-98-4;[4-(4-bromophenyl)phenyl] acetate;4'-Bromo-[1,1'-biphenyl]-4-ol acetate;4'-Bromo-[1,1'-biphenyl]-4-yl acetate;4'-bromobiphenyl-4-yl acetate;4-(4-bromophenyl)phenyl acetate;NSC95827;SCHEMBL177352;DTXSID00294326;MFCD00984614;NSC 95827;NSC-95827;AKOS015890116;AS-3176;4 inverted exclamation marka-Bromo-[1,1 inverted exclamation marka-biphenyl]-4-ol acetate;4'-Bromo-[1,1'-biphenyl]-4-ylacetate;CS-0322364;FT-0656056;A840746;ALPHA1,3ALPHA1,6-MANNOTRIOSE,ALPHA-METHYLGLYCOSIDE;acetic acid;4-(4-bromophenyl)phenol

Chemical Property of 4-Acetoxy-4'-bromobiphenyl

Chemical Property:

• Melting Point: 130-134 °C(lit.)
• Boiling Point: 378.4oC at 760 mmHg
• Flash Point: 182.6oC
• PSA: 26.30000
• Density: 1.396g/cm3
• LogP: 4.04140
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 289.99424
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Bromophenyl)phenylAcetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)Br

Technology Process of 4-Acetoxy-4'-bromobiphenyl

There total 6 articles about 4-Acetoxy-4'-bromobiphenyl 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: 84.6%

4-acetoxybiphenyl (148-86-7) → 4'-bromobiphenyl-4-yl acetate (84244-98-4)

Guidance literature:

With bromine; sodium carbonate; In 1,2-dichloro-ethane; at 50 ℃;

DOI:10.1080/10587250008031039

Reference yield:

4-bromo-4'-hydroxybiphenyl (29558-77-8) + acetic anhydride (108-24-7) → 4'-bromobiphenyl-4-yl acetate (84244-98-4)

Guidance literature:

With sodium acetate;

DOI:10.1021/ja01266a015

Reference yield:

4-Phenylphenol (92-69-3) → 4'-bromobiphenyl-4-yl acetate (84244-98-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / Sulfuric acid / 3 h / 60 °C

2: 84.6 percent / Na₂CO₃; Br₂ / 1,2-dichloro-ethane / 50 °C

With sulfuric acid; bromine; sodium carbonate; In 1,2-dichloro-ethane;

DOI:10.1080/10587250008031039

upstream raw materials:

4-acetoxybiphenyl

acetic anhydride

4-bromo-4'-hydroxybiphenyl

bromine

Downstream raw materials:

4'-cyano-[1,1'-biphenyl]-4-yl acetate

4-bromo-4'-methoxylbiphenyl

4-n-hexyloxy-4'-biphenylboronic acid

4-(4-n-pentyloxyphenyl)phenylboronic acid

Refernces

• 1、 Surendranath, V.,Fishel, D. L.,Vries, A de,Mahmood, R.,Johnson, D. L.. "Mesomorphic Properties of n-Alkyl-4'-n-Pentanoyloxy-Biphenyl-4-Carboxylates". . p. 1 - 8. Retrieved 2007/10/02.