2,2-Dimethyl-1-phenylpropane-1,3-diol

Base Information

Chemical Name:2,2-Dimethyl-1-phenylpropane-1,3-diol
CAS No.:33950-46-8
Molecular Formula:C11H16 O2
Molecular Weight:180.247
Hs Code.:2906299090
European Community (EC) Number:807-269-0
NSC Number:71578
DSSTox Substance ID:DTXSID50290873
Nikkaji Number:J660.592C
Mol file:33950-46-8.mol

Synonyms:2,2-dimethyl-1-phenylpropane-1,3-diol;33950-46-8;1,3-Propanediol,2,2-dimethyl-1-phenyl-;1-Phenyl-2,2-dimethyl-1,3-propanediol;NSC71578;NCIOpen2_000604;SCHEMBL703634;DTXSID50290873;NSC-71578;AKOS006227639;SB45829;SS-4823

Suppliers and Price of 2,2-Dimethyl-1-phenylpropane-1,3-diol

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

Matrix Scientific
2,2-Dimethyl-1-phenylpropane-1,3-diol >95%
5g
$ 2288.00

Matrix Scientific
2,2-Dimethyl-1-phenylpropane-1,3-diol >95%
1g
$ 917.00

Matrix Scientific
2,2-Dimethyl-1-phenylpropane-1,3-diol >95%
500mg
$ 676.00

American Custom Chemicals Corporation
2,2-DIMETHYL-1-PHENYL-1,3-PROPANEDIOL 95.00%
5MG
$ 502.03

AK Scientific
2,2-Dimethyl-1-phenylpropane-1,3-diol
5g
$ 3138.00

AK Scientific
2,2-Dimethyl-1-phenylpropane-1,3-diol
500mg
$ 962.00

Total 5 raw suppliers

Chemical Property of 2,2-Dimethyl-1-phenylpropane-1,3-diol

Chemical Property:

Vapor Pressure:0.000131mmHg at 25°C
Melting Point:76-80 °C(lit.)
Refractive Index:1.5130 (estimate)
Boiling Point:286-287 °C(lit.)
Flash Point:153.2°C
PSA：40.46000
Density:1.075g/cm³
LogP:1.73850
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:180.115029749
Heavy Atom Count:13
Complexity:148

Purity/Quality:

98% ^*data from raw suppliers

2,2-Dimethyl-1-phenylpropane-1,3-diol >95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2,2-Dimethyl-1-phenylpropane-1,3-diol

There total 10 articles about 2,2-Dimethyl-1-phenylpropane-1,3-diol 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: 90.0%

: 100-52-7
benzaldehyde

: 78-84-2
isobutyraldehyde

: 33950-46-8,98674-79-4
1-phenyl-2,2-dimethyl-1,3-propanediol

Guidance literature:: In toluene; at 130 ℃; for 40h; chemoselective reaction; Autoclave; Inert atmosphere;
DOI:10.1002/ejoc.201801040

Reference yield: 82.0%

: 598-26-5
dimethylketene

: 100-52-7
benzaldehyde

: 33950-46-8,98674-79-4
1-phenyl-2,2-dimethyl-1,3-propanediol

Guidance literature:: dimethylketene; benzaldehyde; With potassium hexamethylsilazane; In tetrahydrofuran; toluene; at -78 ℃; for 0.25h;

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h;
DOI:10.1039/b908899g

Reference yield: 81.0%

: 25491-42-3
ethyl 2,2-dimethyl-3-oxo-3-phenylpropionate

: 33950-46-8,98674-79-4
1-phenyl-2,2-dimethyl-1,3-propanediol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 16.5h; Inert atmosphere;
DOI:10.1021/jacs.7b05713