1-(2-Bromo-3,3-dimethylbutan-2-yl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(2-Bromo-3,3-dimethylbutan-2-yl)-4-methoxybenzene
• CAS No.: 502760-10-3
• Molecular Formula: C13H19BrO
• Molecular Weight: 271.197
• DSSTox Substance ID: DTXSID50462391
• Nikkaji Number: J1.843.905K
• Mol file: 502760-10-3.mol

Synonyms:502760-10-3;AGN-PC-006S7L;DTXSID50462391

Chemical Property of 1-(2-Bromo-3,3-dimethylbutan-2-yl)-4-methoxybenzene

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 270.06193
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(C)(C1=CC=C(C=C1)OC)Br

Technology Process of 1-(2-Bromo-3,3-dimethylbutan-2-yl)-4-methoxybenzene

There total 1 articles about 1-(2-Bromo-3,3-dimethylbutan-2-yl)-4-methoxybenzene 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:

2-(4-methoxyphenyl)-3,3-dimethyl-2-butanol (147611-06-1) → 2-bromo-2-(4-methoxyphenyl)-3,3-dimethylbutane (502760-10-3)

Guidance literature:

With phosphorus tribromide; In diethyl ether; at -10 ℃;

DOI:10.1002/chem.200400545

Reference yield: 73.0%

allylmagnesium bromide (2622-05-1) + 2-bromo-2-(4-methoxyphenyl)-3,3-dimethylbutane (502760-10-3) → 4-(4-methoxyphenyl)-4,5,5-trimethyl-1-hexene (502760-14-7)

Guidance literature:

With CoCl₂(1,4-bis(diphenylphosphanyl)ethane); In tetrahydrofuran; at -20 ℃;

DOI:10.1002/1521-3773(20021104)41:21<4137::AID-ANIE4137>3.0.CO;2-0

Reference yield:

2-bromo-2-(4-methoxyphenyl)-3,3-dimethylbutane (502760-10-3) → 4-(4-methoxy-phenyl)-4,5,5-trimethyl-hexan-1-ol

Guidance literature:

Multi-step reaction with 2 steps

1.1: 73 percent / CoCl₂(1,4-bis(diphenylphosphanyl)ethane) / tetrahydrofuran / -20 °C

2.1: BH₃*THF

2.2: 70 percent / H₂O₂; NaOH

With borane-THF; CoCl₂(1,4-bis(diphenylphosphanyl)ethane); In tetrahydrofuran;

DOI:10.1002/1521-3773(20021104)41:21<4137::AID-ANIE4137>3.0.CO;2-0

upstream raw materials:

2-(4-methoxyphenyl)-3,3-dimethyl-2-butanol

Downstream raw materials:

4-(4-methoxyphenyl)-4,5,5-trimethyl-1-hexene