3-Bromo-4-methoxybiphenyl

Base Information

• Chemical Name: 3-Bromo-4-methoxybiphenyl
• CAS No.: 74447-73-7
• Molecular Formula: C13H11 Br O
• Molecular Weight: 263.134
• Hs Code.: 2909309090
• European Community (EC) Number: 676-908-1
• NSC Number: 95719
• DSSTox Substance ID: DTXSID40294289
• Nikkaji Number: J1.536.736I
• Wikidata: Q82033511
• Mol file: 74447-73-7.mol

Synonyms:3-bromo-4-methoxybiphenyl;74447-73-7;2-bromo-1-methoxy-4-phenylbenzene;3-bromo-4-methoxy-1,1'-biphenyl;2-bromo-1-methoxy-4-phenyl-benzene;NSC95719;2-Bromo-1-Methoxy-4-phenyl-Menzene;2-bromo-4-phenylanisole;Maybridge3_000975;NCIOpen2_005834;SCHEMBL3924409;DTXSID40294289;HMS1433M07;ZCA44773;CCG-41652;MFCD00079720;NSC 95719;NSC-95719;AKOS000511681;IDI1_012362;AS-58614;CS-0313423;FT-0739177;SR-01000631713-1;BRD-K60094948-001-01-8

Chemical Property of 3-Bromo-4-methoxybiphenyl

Chemical Property:

• Vapor Pressure: 0.000259mmHg at 25°C
• Boiling Point: 333.8°C at 760 mmHg
• Flash Point: 137.7°C
• PSA: 9.23000
• Density: 1.35g/cm³
• LogP: 4.12470
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 261.99933
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-4-methoxybiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=CC=CC=C2)Br

Technology Process of 3-Bromo-4-methoxybiphenyl

There total 7 articles about 3-Bromo-4-methoxybiphenyl 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: 84.0%

trimethylphenylsilane (768-32-1) + 2-bromoanisole (578-57-4) → 3-bromo-4-methoxybiphenyl (74447-73-7)

Guidance literature:

With (Ph₃P)Au^(I)(OTs); [bis(acetoxy)iodo]benzene; camphor-10-sulfonic acid; In methanol; chloroform; at 20 ℃;

DOI:10.1126/science.1225709

Reference yield: 84.0%

2-bromo-4-phenylphenol (92-03-5) + dimethyl sulfate (77-78-1) → 3-bromo-4-methoxybiphenyl (74447-73-7)

Guidance literature:

With sodium hydroxide; for 6h; Heating;

Reference yield: 32.0%

N-(3-bromo-4-methoxyphenyl)acetamide (6943-73-3) + potassium phenyltrifluoborate → biphenyl (92-52-4,1594-86-1) + 3-bromo-4-methoxybiphenyl (74447-73-7)

Guidance literature:

N-(3-bromo-4-methoxyphenyl)acetamide; With boron trifluoride methanol complex; In methanol; at 65 ℃; Inert atmosphere;

With tert.-butylnitrite; In methanol; at 0 ℃; for 1h; Inert atmosphere;

potassium phenyltrifluoborate; With palladium diacetate; In methanol; at 20 ℃; for 12.25h; Inert atmosphere;

DOI:10.1002/adsc.201200929

upstream raw materials:

4-methoxylbiphenyl

2-bromo-4-phenylphenol

dimethyl sulfate

chloroform

Downstream raw materials:

3-Brom-4-methoxy-4'-benzoyl-biphenyl

methanone, diphenyl-(4-methoxy-{1,1'-biphenyl}-3-yl)hydrazone

3-Brom-4-methoxy-4'-<4-tert.-butyl-benzoyl>-biphenyl

3-Brom-4-methoxy-4'-phenacetyl-biphenyl

Refernces

• 1、 Ball, Liam T.,Lloyd-Jones, Guy C.,Russell, Christopher A.. "Gold-catalyzed direct arylation". . p. 1644 - 1648,5. Retrieved 2020/08/24.
• 2、 Deckert-Gaudig, Tanja,Huenig, Siegfried,Dormann, Elmar,Kelemen, Marc Tibor. "1,3,5-Tris[(2-hydroxy-3,5-diphenyl)phenyl]benzene and its phenoxyl radicals". . p. 1563 - 1567. Retrieved 2007/10/03.