4-bromo-2-methyl-2,3,6,7-tetrahydros-indacen-1(5H)-one

Base Information

• Chemical Name: 4-bromo-2-methyl-2,3,6,7-tetrahydros-indacen-1(5H)-one
• CAS No.: 656800-67-8
• Molecular Formula: C13H13BrO
• Molecular Weight: 265.15
• Hs Code.: 2914700090
• Mol file: 656800-67-8.mol

Synonyms:4-bromo-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one;3,5,6,7-tetrahydro-2-methyl-4-bromo-s-hydraindacen-1-one;4-Bromo-2-methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one;3,5,6,7-tetrahydro-2-methyl-4-bromo-s-hydraindacen-1(2H)-one;

Chemical Property of 4-bromo-2-methyl-2,3,6,7-tetrahydros-indacen-1(5H)-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.31270

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-bromo-2-methyl-2,3,6,7-tetrahydros-indacen-1(5H)-one

There total 2 articles about 4-bromo-2-methyl-2,3,6,7-tetrahydros-indacen-1(5H)-one 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: 54.0%

2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one (202667-44-5) → 4-bromo-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one (656800-67-8)

Guidance literature:

With bromine; aluminum (III) chloride; at 76 ℃; for 2.5h;

Reference yield:

INDANE (496-11-7) → 4-bromo-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one (656800-67-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / dichloromethane / 17.5 h / 0 - 20 °C / Inert atmosphere

1.2: Inert atmosphere; Cooling with ice

2.1: aluminum (III) chloride; bromine / chloroform / 0 °C / Inert atmosphere

2.2: 0 °C / Inert atmosphere

With aluminum (III) chloride; bromine; In dichloromethane; chloroform;

DOI:10.1021/om200610b

Reference yield: 97.0%

4-bromo-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one (656800-67-8) + phenylboronic acid (98-80-6) → 4-phenyl-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one (656800-68-9)

Guidance literature:

With sodium carbonate; palladium diacetate; trisodium tris(3-sulfophenyl)phosphine; In water; ethylene glycol; at 80 ℃; for 3h; Heating / reflux;

upstream raw materials:

2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one

INDANE

Downstream raw materials:

4-(2,5-dimethylphenyl)-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one

4-phenyl-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one

4-(4-tert-butylphenyl)-2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one

3,5,6,7-tetrahydro-2-methyl-4-phenyl-s-hydraindacen-1(2H)-ol