1-Bromo-2-isobutylbenzene

Base Information

• Chemical Name: 1-Bromo-2-isobutylbenzene
• CAS No.: 80304-54-7
• Molecular Formula: C10H13Br
• Molecular Weight: 213.117
• DSSTox Substance ID: DTXSID20593585
• Wikidata: Q82488088
• Mol file: 80304-54-7.mol

Synonyms:1-BROMO-2-ISOBUTYLBENZENE;80304-54-7;1-Bromo-2-(2-methylpropyl)benzene;Benzene, 1-bromo-2-(2-methylpropyl)-;Bromisobutylbenzol;1-(2-Methylpropyl)-2-bromobenzene;1-bromo-2-isobutyl-benzene;SCHEMBL4685387;DTXSID20593585;HJQLGKFRJIWWAT-UHFFFAOYSA-N

Chemical Property of 1-Bromo-2-isobutylbenzene

Chemical Property:

• Melting Point: -47.30 °C
• Boiling Point: 233.0±9.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.2476 g/cm3
• LogP: 3.64760
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 212.02006
• Heavy Atom Count: 11
• Complexity: 109

Purity/Quality:

98%Min ^*data from raw suppliers

1-BROMO-2-ISOBUTYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=CC=C1Br

Technology Process of 1-Bromo-2-isobutylbenzene

There total 8 articles about 1-Bromo-2-isobutylbenzene 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: 87.0%

1-bromo-2-(2-methylprop-1-en-1-yl)benzene (91388-25-9) → (1-bromo-2-methylpropyl)benzene (80304-54-7)

Guidance literature:

With platinum(IV) oxide; hydrogen; In ethanol; at 20 ℃; for 3h; under 760.051 Torr;

DOI:10.1016/j.tet.2015.12.044

Reference yield: 25.0%

2-isobutylaniline (71182-59-7) → (1-bromo-2-methylpropyl)benzene (80304-54-7)

Guidance literature:

2-isobutylaniline; With hydrogen bromide; In water; at 20 ℃; for 0.25h;

With sodium nitrite; In diethyl ether; water; at -55 - 20 ℃; for 3.75h;

Reference yield: 18.0%

1-phenyl-2-methylpropane (538-93-2) → (1-bromo-2-methylpropyl)benzene (80304-54-7) + phenyl isopropyl ketone (611-70-1)

Guidance literature:

With perchloric acid; dihydrogen peroxide; potassium bromide; ammonium vanadate; In water; acetonitrile; for 24h; Ambient temperature;

DOI:10.1039/c39950000611

upstream raw materials:

1-phenyl-2-methylpropane

toluene-4-sulfonic acid isopropyl ester

1-Bromo-2-bromomethyl-benzene

2-bromoaniline

Downstream raw materials:

(2-isobutylphenyl)boronic acid

<2-Isobutyl-benzhydryl>-<2-dimethylamino-aethyl>-aether

2-Isobutyl-benzhydrol

Refernces

• 1、 -. "LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES". . . Retrieved 2015/02/25.
• 2、 Dinesh, Chimmanamada U.,Kumar, Rajiv,Pandey, Bipin,Kumar, Pradeep. "Catalytic Halogenation of Selected Organic Compounds Mimicking Vanadate-dependent Marine Metalloenzymes". . p. 611 - 612. Retrieved 2007/10/02.