2-bromo-1-methyl-4-tert-butyl-benzene

Base Information

• Chemical Name: 2-bromo-1-methyl-4-tert-butyl-benzene
• CAS No.: 61024-94-0
• Molecular Formula: C11H15 Br
• Molecular Weight: 227.144
• Hs Code.: 2903999090
• Mol file: 61024-94-0.mol

Synonyms:Toluene,2-bromo-4-tert-butyl- (7CI); 1-Bromo-2-methyl-5-tert-butylbenzene;1-Bromo-5-(1,1-dimethylethyl)-2-methylbenzene;2-Bromo-1-methyl-4-tert-butylbenzene; 2-Bromo-4-tert-butyltoluene; NSC 266252

Chemical Property of 2-bromo-1-methyl-4-tert-butyl-benzene

Chemical Property:

• Vapor Pressure: 0.0778mmHg at 25°C
• Boiling Point: 235.1°C at 760 mmHg
• Flash Point: 93.7°C
• PSA: 0.00000
• Density: 1.204g/cm³
• LogP: 4.05500

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4-tert-butyl-1-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-bromo-1-methyl-4-tert-butyl-benzene

There total 11 articles about 2-bromo-1-methyl-4-tert-butyl-benzene 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: 93.0%

4-tert-butyltoluene (98-51-1) → 2-bromo-4-tert-butyl-1-methylbenzene (61024-94-0)

Guidance literature:

With bromine; iodine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jacs.0c08115

Reference yield: 84.0%

4-tert-butyltoluene (98-51-1) → 2-bromo-4-tert-butyl-1-methylbenzene (61024-94-0) + 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene (18880-00-7)

Guidance literature:

With sodium bromate; sodium hydrogensulfite; In water; acetonitrile; at 20 ℃; for 4h;

DOI:10.1021/jo972263q

Reference yield: 70.0%

((CH3C6H4)3PC6H3(C4H9)CH3PdBr)2 (330783-82-9,330979-75-4) + tri-tert-butyl phosphine (13716-12-6) → bis(tri-t-butylphosphine)palladium(0) (53199-31-8) + 2-bromo-4-tert-butyl-1-methylbenzene (61024-94-0)

Guidance literature:

In benzene-d6; byproducts: P(o-tol)3, biaryl, arene; in C6D6 soln. at 70°C; NMR spectroscopy; K(eq) = 2.3(3)E-3;

DOI:10.1021/ja0034592

upstream raw materials:

4-tert-butyltoluene

bromine

acetic acid

((CH₃C₆H₄)3PC₆H₃(C₄H₉)CH₃PdBr)2

Downstream raw materials:

2,2'-Dimethyl-5,5'-di-tert-butyldiphenylmethane

2-methyl-5-tert-butylbenzaldehyde

2-bromo-4-tert-butyl-1-ethenylbenzene

C₂₁H₃₁BO₃

Refernces

• 1、 Eleya, Nadi,Li, Shuo,Staubitz, Anne. "Cross-coupling strategy for the synthesis of diazocines". supporting information. p. 1624 - 1627. Retrieved 2020/03/13.
• 2、 -. "Organic compound with tetrahedral-like geometry". Page/Page column 34; 36. . Retrieved 2018/03/25.