5-(Trifluoromethyl)chroman-4-one

Base Information

Chemical Name:5-(Trifluoromethyl)chroman-4-one
CAS No.:111141-06-1
Molecular Formula:C10H7F3O2
Molecular Weight:216.15700
Hs Code.:
DSSTox Substance ID:DTXSID00553208
Wikidata:Q82433744
Mol file:111141-06-1.mol

Synonyms:5-(TRIFLUOROMETHYL)CHROMAN-4-ONE;111141-06-1;5-(trifluoromethyl)-2,3-dihydrochromen-4-one;SCHEMBL14052938;DTXSID00553208;YDHCLRWQANKUKP-UHFFFAOYSA-N;MB08816;5-(Trifluoromethyl)-2,3-dihydro-4H-1-benzopyran-4-one

Suppliers and Price of 5-(Trifluoromethyl)chroman-4-one

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

Crysdot
5-(Trifluoromethyl)chroman-4-one 95+%
1g
$ 772.00

Chemenu
5-(trifluoromethyl)chroman-4-one 95%
1g
$ 729.00

American Custom Chemicals Corporation
5-(TRIFLUOROMETHYL)CHROMAN-4-ONE 95.00%
5MG
$ 505.42

Alichem
5-(Trifluoromethyl)chroman-4-one
1g
$ 640.56

Total 5 raw suppliers

Chemical Property of 5-(Trifluoromethyl)chroman-4-one

Chemical Property:

PSA：26.30000
LogP:2.67060
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:216.03981395
Heavy Atom Count:15
Complexity:262

Purity/Quality:

98%min ^*data from raw suppliers

5-(Trifluoromethyl)chroman-4-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC2=CC=CC(=C2C1=O)C(F)(F)F

Technology Process of 5-(Trifluoromethyl)chroman-4-one

There total 4 articles about 5-(Trifluoromethyl)chroman-4-one 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:

: 111140-93-3
3-<3-(trifluoromethyl)phenoxy>propanoic acid

: 111141-06-1
2,3-dihydro-5-(trifluoromethyl)-4H-1-benzopyran-4-one

: 111141-02-7
2,3-dihydro-7-(trifluoromethyl)-4H-1-benzopyran-4-one

Guidance literature:: With PPA; at 100 ℃; for 5h;
DOI:10.1021/jm00396a037

Reference yield:

: 890839-56-2
C₁₀H₆ClF₃O

: 111141-06-1
2,3-dihydro-5-(trifluoromethyl)-4H-1-benzopyran-4-one

: 111141-02-7
2,3-dihydro-7-(trifluoromethyl)-4H-1-benzopyran-4-one

Guidance literature:: With sulfuric acid; at 20 ℃; for 0.5h;

Reference yield:

: 98-17-9
3-Trifluoromethylphenol

: 111141-06-1
2,3-dihydro-5-(trifluoromethyl)-4H-1-benzopyran-4-one

: 111141-02-7
2,3-dihydro-7-(trifluoromethyl)-4H-1-benzopyran-4-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydroxide / 1 h / Reflux

1.2: 20 °C

2.1: polyphosphoric acid / 0.33 h / 100 °C

With sodium hydroxide;