Benzoicacid, 4-(1-hydroxy-2,2-dimethylpropyl)-

Base Information

Chemical Name:Benzoicacid, 4-(1-hydroxy-2,2-dimethylpropyl)-
CAS No.:163089-77-8
Molecular Formula:C12H16 O3
Molecular Weight:208.257
Hs Code.:
ChEMBL ID:CHEMBL295280
DSSTox Substance ID:DTXSID60473771
Nikkaji Number:J646.309F

Synonyms:163089-77-8;Benzoicacid, 4-(1-hydroxy-2,2-dimethylpropyl)-;CHEMBL295280;SCHEMBL9184984;DTXSID60473771;WVWUIXUDPBZIMS-UHFFFAOYSA-N;4-carboxy-alpha-(1,1-dimethylethyl)benzenemethanol

Suppliers and Price of Benzoicacid, 4-(1-hydroxy-2,2-dimethylpropyl)-

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 1 raw suppliers

Chemical Property of Benzoicacid, 4-(1-hydroxy-2,2-dimethylpropyl)-

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:208.109944368
Heavy Atom Count:15
Complexity:222

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C(C1=CC=C(C=C1)C(=O)O)O

Technology Process of Benzoicacid, 4-(1-hydroxy-2,2-dimethylpropyl)-

There total 2 articles about Benzoicacid, 4-(1-hydroxy-2,2-dimethylpropyl)- 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%

: 32018-31-8
4-pivaloyl-benzoic acid

: 163089-77-8
4-carboxy-α-(1,1-dimethylethyl)benzenemethanol

Guidance literature:: With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃; for 6h;
DOI:10.1021/jm980438y

Reference yield:

: 30314-44-4
2,2-dimethyl-1-(4-methylphenyl)-1-propanone

: 163089-77-8
4-carboxy-α-(1,1-dimethylethyl)benzenemethanol

Guidance literature:: Multi-step reaction with 2 steps

1: 56 percent / aq. KMnO₄ / 4 h / Heating

2: 93 percent / NaBH₄ / ethanol / 6 h / 0 - 20 °C

With sodium tetrahydroborate; potassium permanganate; In ethanol;
DOI:10.1021/jm980438y