Flumecinol

Base Information

Chemical Name:Flumecinol
CAS No.:56430-99-0
Molecular Formula:C₁₆H₁₅F₃O
Molecular Weight:280.29
Hs Code.:2906299090
European Community (EC) Number:260-176-1
UNII:JB0YA8LDOW,FMZ2L5L8WH,VWK2338NBP
DSSTox Substance ID:DTXSID80866560
Nikkaji Number:J11.748J
Wikidata:Q27281410
NCI Thesaurus Code:C169987
ChEMBL ID:CHEMBL2107440

Synonyms:1-(3-trifluoromethylphenyl)-1-phenylpropanol;flumacinol;flumatsynol;flumecinol;m-trifluoromethyl-alpha-ethylbenzhydrol;RGH 3332;Ziksorin;Zixoryn;Zyxorin

Suppliers and Price of Flumecinol

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

American Custom Chemicals Corporation
FLUMECINOL 95.00%
5MG
$ 504.26

Total 7 raw suppliers

Chemical Property of Flumecinol

Chemical Property:

Vapor Pressure:5.94E-05mmHg at 25°C
Boiling Point:332.1°C at 760 mmHg
Flash Point:136.8°C
PSA：20.23000
Density:1.199g/cm³
LogP:4.35130
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:280.10749958
Heavy Atom Count:20
Complexity:309

Purity/Quality:

99% ^*data from raw suppliers

FLUMECINOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C1=CC=CC=C1)(C2=CC(=CC=C2)C(F)(F)F)O

Technology Process of Flumecinol

There total 7 articles about Flumecinol 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: 45.0%

: 728-81-4
3-(trifluoromethyl)benzophenone

: 925-90-6
ethylmagnesium bromide

: 56430-99-0,107317-30-6,107317-31-7
3-trifluoromethyl-α-ethyl-benzhydrol

Guidance literature:: In diethyl ether;
DOI:10.1002/oms.1210261203

Reference yield:

: 401-78-5
3-bromo-1-trifluoromethylbenzene

: ammonium chloride

: 93-55-0
1-phenyl-propan-1-one

: 56430-99-0,107317-30-6,107317-31-7
3-trifluoromethyl-α-ethyl-benzhydrol

Guidance literature:: With magnesium;

Reference yield:

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 56430-99-0,107317-30-6,107317-31-7
3-trifluoromethyl-α-ethyl-benzhydrol

Guidance literature:: Multi-step reaction with 3 steps

1.1: magnesium sulfate / diethyl ether / 20 °C

2.1: bis(1,5-cyclooctadiene)nickel (0); N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; cesium fluoride / 1,4-dioxane; toluene / 0.5 h / 20 °C / Inert atmosphere

2.2: 1 h / 60 °C / Inert atmosphere

3.1: toluene / 14 h / 80 °C

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; magnesium sulfate; cesium fluoride; In 1,4-dioxane; diethyl ether; toluene;
DOI:10.1002/anie.201102092