Methyl 4-(3-hydroxy-2-methylpropyl)benzoate

Base Information

Chemical Name:Methyl 4-(3-hydroxy-2-methylpropyl)benzoate
CAS No.:170955-21-2
Molecular Formula:C12H16O3
Molecular Weight:208.25400
Hs Code.:
DSSTox Substance ID:DTXSID60572011
Mol file:170955-21-2.mol

Synonyms:Methyl 4-(3-hydroxy-2-methylpropyl)benzoate;170955-21-2;Benzoic acid, 4-(3-hydroxy-2-methylpropyl)-, methyl ester (9CI);SCHEMBL2653884;DTXSID60572011;Benzoic acid,4-(3-hydroxy-2-methylpropyl)-,methyl ester(9ci)

Suppliers and Price of Methyl 4-(3-hydroxy-2-methylpropyl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Methyl 4-(3-hydroxy-2-methylpropyl)benzoate

Chemical Property:

PSA：46.53000
LogP:1.64410
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Heavy Atom Count:15
Complexity:195

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC1=CC=C(C=C1)C(=O)OC)CO

Technology Process of Methyl 4-(3-hydroxy-2-methylpropyl)benzoate

There total 2 articles about Methyl 4-(3-hydroxy-2-methylpropyl)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: 86.0%

: 170955-20-1
3-(4-methoxycarbonyl)phenyl-2-methyl-2-propen-1-ol

: 170955-21-2
3-(4-methoxycarbonyl)phenyl-2-methyl-1-propanol

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 48h; Ambient temperature;
DOI:10.1007/BF00698514

Reference yield:

: 4-((E)-2-Methyl-3-oxo-propenyl)-benzoic acid methyl ester

: 170955-21-2
3-(4-methoxycarbonyl)phenyl-2-methyl-1-propanol

Guidance literature:: Multi-step reaction with 2 steps

1: 2.05 g / NaBH₄ / methanol / 1.) -10 - -5 deg C, 4 h, 2.) overnight

2: 86 percent / H₂ / 5percent Pd/C / methanol / 48 h / Ambient temperature

With sodium tetrahydroborate; hydrogen; palladium on activated charcoal; In methanol;
DOI:10.1007/BF00698514