Fenpentadiol

Base Information

Chemical Name:Fenpentadiol
CAS No.:15687-18-0
Molecular Formula:C12H17 Cl O2
Molecular Weight:228.719
Hs Code.:
European Community (EC) Number:239-782-5
UNII:BLO7300903
DSSTox Substance ID:DTXSID9023047
Nikkaji Number:J9.007G
Wikipedia:Fenpentadiol
Wikidata:Q5443569
NCI Thesaurus Code:C65664
ChEMBL ID:CHEMBL2106273
Mol file:15687-18-0.mol

Synonyms:fenpentadiol

Suppliers and Price of Fenpentadiol

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

TRC
2-(4-Chlorophenyl)-4-methylpentane-2,4-diol
25mg
$ 285.00

American Custom Chemicals Corporation
FENPENTADIOL 95.00%
5MG
$ 498.07

Total 24 raw suppliers

Chemical Property of Fenpentadiol

Chemical Property:

Vapor Pressure:6.29E-06mmHg at 25°C
Melting Point:76.5℃
Refractive Index:1.5434 (estimate)
Boiling Point:363.7°Cat760mmHg
PKA:14.36±0.29(Predicted)
Flash Point:173.8°C
PSA：40.46000
Density:1.166g/cm³
LogP:2.70850
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:228.0917075
Heavy Atom Count:15
Complexity:210

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

2-(4-Chlorophenyl)-4-methylpentane-2,4-diol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(CC(C)(C1=CC=C(C=C1)Cl)O)O
Uses 2-(4-chlorophenyl)-4-methylpentane-2,4-diol is a pharmaceutical drug with analgesic, antipyretic, and antihistaminic properties and can be used for preventative or early treatment of inflammatory syndromes.
Therapeutic Function Antidepressant, Tranquilizer

Technology Process of Fenpentadiol

There total 5 articles about Fenpentadiol 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: 81.0%

: 4-((tert-butyldimethylsilyl)oxy)-4-(4-chlorophenyl)-2-methylpentan-2-ol

: 15687-18-0
2-(4-chlorophenyl)-4-methylpentane-2,4-diol

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 6h;
DOI:10.1002/chem.201803142

Reference yield:

: 99-91-2
para-chloroacetophenone

: 15687-18-0
2-(4-chlorophenyl)-4-methylpentane-2,4-diol

Guidance literature:: Multi-step reaction with 2 steps

1: Zn / benzene; toluene / Heating

2: diethyl ether

With zinc; In diethyl ether; toluene; benzene;

Reference yield:

: methyl 3-((tert-butyldimethylsilyl)oxy)-3-(4-chlorophenyl)butanoate

: 15687-18-0
2-(4-chlorophenyl)-4-methylpentane-2,4-diol

Guidance literature:: Multi-step reaction with 2 steps

1: dichloromethane / 24 h / 0 °C

2: tetrabutyl ammonium fluoride / tetrahydrofuran / 6 h / 0 °C

With tetrabutyl ammonium fluoride; In tetrahydrofuran; dichloromethane;
DOI:10.1002/chem.201803142