1-Bromo-4-isobutoxybenzene

Base Information

• Chemical Name: 1-Bromo-4-isobutoxybenzene
• CAS No.: 30752-23-9
• Molecular Formula: C10H13BrO
• Molecular Weight: 229.117
• DSSTox Substance ID: DTXSID50571492
• Nikkaji Number: J2.142.034D
• Wikidata: Q82459584
• Mol file: 30752-23-9.mol

Synonyms:1-Bromo-4-isobutoxybenzene;30752-23-9;1-Bromo-4-(2-methylpropoxy)benzene;Benzene, 1-bromo-4-(2-methylpropoxy)-;1-Bromo-4-iso-butyloxybenzene;1-Bromo-4-isobutoxy-benzene;SCHEMBL940075;4-bromo-2-methyl-propoxybenzene;DTXSID50571492;4-Bromophenol, 2-methylpropyl ether;AKOS000201865;AB91742;BS-22282;CS-0195025;E90438

Chemical Property of 1-Bromo-4-isobutoxybenzene

Chemical Property:

• Vapor Pressure: 0.023mmHg at 25°C
• Boiling Point: 257.538oC at 760 mmHg
• Flash Point: 112.634oC
• PSA: 9.23000
• Density: 1.276g/cm3
• LogP: 3.48390
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 228.01498
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

1-bromo-4-(2-methylpropoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-4-isobutoxybenzene

There total 5 articles about 1-Bromo-4-isobutoxybenzene 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: 96.0%

(isobutyloxy)benzene (1126-75-6) → 4-bromophenyl iso-butyl ether (30752-23-9)

Guidance literature:

With aluminum oxide; sodium chlorite; water; manganese(III) acetylacetonate; sodium bromide; In dichloromethane; at 20 ℃; for 1.66667h;

DOI:10.1080/00304949809355283

Reference yield: 94.0%

4-bromo-phenol (106-41-2) + Isobutyl iodide (513-38-2) → 4-bromophenyl iso-butyl ether (30752-23-9)

Guidance literature:

With potassium carbonate; In acetone; for 70h; Reflux;

DOI:10.1002/ejoc.201403672

Reference yield: 92.0%

4-bromo-phenol (106-41-2) + Isobutyl bromide (78-77-3) → 4-bromophenyl iso-butyl ether (30752-23-9)

Guidance literature:

With potassium carbonate; at 90 ℃; for 2h; Large scale;

upstream raw materials:

(isobutyloxy)benzene

4-bromo-phenol

Isobutyl iodide

Isobutyl bromide

Downstream raw materials:

para-isobutoxyphenylboronic acid

tert-butyl 2-(3’-cyano-4’-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

febuxostat

5-bromo-2-isobutoxy-benzonitrile