Rac bhff

Base Information

Chemical Name:Rac bhff
CAS No.:123557-91-5
Molecular Formula:C17H21F3O3
Molecular Weight:330.347
Hs Code.:
European Community (EC) Number:802-993-3
UNII:K3W3822BMV
DSSTox Substance ID:DTXSID50402030
Wikipedia:BHFF
Wikidata:Q4835587
ChEMBL ID:CHEMBL2322946
Mol file:123557-91-5.mol

Synonyms:(R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one;rac-BHFF

Suppliers and Price of Rac bhff

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

Usbiological
rac BHFF
10mg
$ 403.00

TRC
rac BHFF
2.5mg
$ 195.00

Tocris
rac BHFF ≥98%(HPLC)
10
$ 167.00

Tocris
rac BHFF ≥98%(HPLC)
50
$ 664.00

Sigma-Aldrich
rac BHFF ≥98% (HPLC)
25mg
$ 464.00

Sigma-Aldrich
rac BHFF ≥98% (HPLC)
5mg
$ 120.00

DC Chemicals
rac BHFF >98%
100 mg
$ 400.00

DC Chemicals
rac BHFF >98%
250 mg
$ 720.00

Cayman Chemical
(R,S)-BHFF ≥95%
50mg
$ 417.00

Cayman Chemical
(R,S)-BHFF ≥95%
10mg
$ 93.00

Total 15 raw suppliers

Chemical Property of Rac bhff

Chemical Property:

PSA：46.53000
LogP:3.95050
Storage Temp.:Store at +4°C
Solubility.:DMSO: ≥15mg/mL
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:330.14427901
Heavy Atom Count:23
Complexity:487

Purity/Quality:

99% ^*data from raw suppliers

rac BHFF ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C2(C(F)(F)F)O
Uses rac BHFF is a positive allosteric modulator of GABAB receptors.

Technology Process of Rac bhff

There total 3 articles about Rac bhff 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: 97.0%

: 13089-11-7
methyl 3,3,3-trifluoropyruvate

: 96-76-4
2,4-di-tert-Butylphenol

: 123557-91-5
[3H]-(+/-)-BHFF

Guidance literature:: In tetrachloromethane; at 25 ℃; for 24h;
DOI:10.1007/BF00953301

Reference yield: 71.0%

: (RS)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropionic acid disodium salt

: 123557-91-5
[3H]-(+/-)-BHFF

Guidance literature:: With hydrogenchloride; In ethyl acetate; at 0 ℃;
DOI:10.1080/00397910801979403

Reference yield: 64.0%

: 13089-11-7
methyl 3,3,3-trifluoropyruvate

: 123557-91-5
[3H]-(+/-)-BHFF

Guidance literature:: 2,4-di-tert-Butylphenol; With n-butyllithium; In tetrahydrofuran; hexane; at -70 - 20 ℃;

With gallium(III) trichloride; In 1,2-dichloro-ethane; at 0 - 5 ℃; for 0.25h; Heating / reflux;

methyl 3,3,3-trifluoropyruvate; In 1,2-dichloro-ethane; at 20 ℃; for 13h;