Propan-2-yl 2-(bromomethyl)benzoate

Base Information

• Chemical Name: Propan-2-yl 2-(bromomethyl)benzoate
• CAS No.: 28188-37-6
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.127
• DSSTox Substance ID: DTXSID90559057
• Wikidata: Q82441587
• Mol file: 28188-37-6.mol

Synonyms:28188-37-6;Propan-2-yl 2-(bromomethyl)benzoate;Benzoic acid, 2-(bromomethyl)-, 1-methylethyl ester;SCHEMBL19500120;DTXSID90559057;2-(bromomethyl)benzoic acid isopropylester

Chemical Property of Propan-2-yl 2-(bromomethyl)benzoate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 256.00989
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CC=CC=C1CBr

Technology Process of Propan-2-yl 2-(bromomethyl)benzoate

There total 1 articles about Propan-2-yl 2-(bromomethyl)benzoate 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: 82.0%

isopropyl 2-methylbenzoate (942-13-2) → 2-(bromomethyl)benzoic acid isopropyl ester (28188-37-6)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; for 2h; Heating;

DOI:10.1007/s00706-003-0013-5

Reference yield: 80.0%

2-(bromomethyl)benzoic acid isopropyl ester (28188-37-6) + isopropyl alcohol (67-63-0,8013-70-5) → C14H20O3

Guidance literature:

isopropyl alcohol; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.5h; Inert atmosphere;

2-(bromomethyl)benzoic acid isopropyl ester; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1002/adsc.201900506

Reference yield: 65.0%

2-benzoyl-1-cyano-1,2-dihydroisoquinoline (844-25-7,55839-33-3) + 2-(bromomethyl)benzoic acid isopropyl ester (28188-37-6) → 2-[[2-benzoyl-1-cyano-1,2-dihydroisoquinolin-1-yl]methyl]benzoic acid isopropyl ester

Guidance literature:

With sodium hydroxide; cetyltrimethylammonim bromide; In benzene; for 16h;

DOI:10.1007/s00706-003-0013-5

upstream raw materials:

isopropyl 2-methylbenzoate

Downstream raw materials:

2-(1-Carboxy-cyclopentylmethyl)-benzoic acid isopropyl ester

1-(2-Isopropoxycarbonyl-benzyl)-cyclooctanecarboxylic acid

2-(1-Isocyanato-cyclobutylmethyl)-benzoic acid isopropyl ester

2-(1-Isocyanato-cyclopentylmethyl)-benzoic acid isopropyl ester