Oxaflozane

Base Information

Chemical Name:Oxaflozane
CAS No.:26629-87-8
Molecular Formula:C14H18 F3 N O
Molecular Weight:273.298
Hs Code.:2934999090
European Community (EC) Number:247-855-8
UNII:V4WLW77V5Q
DSSTox Substance ID:DTXSID50865308
Nikkaji Number:J9.801I
Wikipedia:Oxaflozane
Wikidata:Q7115050
NCI Thesaurus Code:C75175
Metabolomics Workbench ID:154263
ChEMBL ID:CHEMBL2106996
Mol file:26629-87-8.mol

Synonyms:1766 CERM;2-(3-trifluoromethylphenyl)-4-isopropyltetrahydro-1,4-oxazine;oxaflozane;oxaflozane hydrochloride

Suppliers and Price of Oxaflozane

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
OXAFLOZANE 95.00%
5MG
$ 502.55

Total 10 raw suppliers

Chemical Property of Oxaflozane

Chemical Property:

Refractive Index:nD24 1.4751
Boiling Point:294.2°Cat760mmHg
PKA:7.58±0.10(Predicted)
Flash Point:131.7°C
PSA：12.47000
Density:1.146g/cm³
LogP:3.42500
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:273.13404868
Heavy Atom Count:19
Complexity:293

Purity/Quality:

99% ^*data from raw suppliers

OXAFLOZANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N1CCOC(C1)C2=CC(=CC=C2)C(F)(F)F
Therapeutic Function Antidepressant

Technology Process of Oxaflozane

There total 6 articles about Oxaflozane 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: 66.0%

: 75232-80-3
3,4-dihydro-4-isopropyl-6-<3-(trifluoromethyl)phenyl>-2H-1,4-oxazine

: 26629-87-8
tetrahydro-4-isopropyl-<3-(trifluoromethyl)phenyl>-2H-1,4-oxazine

Guidance literature:: With hydrogen; platinum(IV) oxide; In acetic acid; for 18h;
DOI:10.1021/jo01312a037

Reference yield:

: 26629-85-6
1-[2-bromo-1-(2-chloro-ethoxy)-ethyl]-3-trifluoromethyl-benzene

: 75-31-0
isopropylamine

: 26629-87-8
tetrahydro-4-isopropyl-<3-(trifluoromethyl)phenyl>-2H-1,4-oxazine

Guidance literature:: In benzene; for 6h; Heating;

Reference yield:

: 75247-59-5
tetrahydro-4-isopropyl-2-<3-(trifluoromethyl)phenyl>-2H-1,4-oxazin-2-ol

: 26629-87-8
tetrahydro-4-isopropyl-<3-(trifluoromethyl)phenyl>-2H-1,4-oxazine

Guidance literature:: Multi-step reaction with 2 steps

1: 79.1 percent / p-toluenesulfonic acid monohydrate / benzene / 2 h / Heating

2: 66 percent / H₂ / PtO₂ / acetic acid / 18 h

With hydrogen; toluene-4-sulfonic acid; platinum(IV) oxide; In acetic acid; benzene;
DOI:10.1021/jo01312a037