2-(3-Chloro-2,4,5-trifluorophenyl)-4,5-dihydro-4,4-dimethyloxazole

Base Information

Chemical Name:2-(3-Chloro-2,4,5-trifluorophenyl)-4,5-dihydro-4,4-dimethyloxazole
CAS No.:125290-76-8
Molecular Formula:C11H9 Cl F3 N O
Molecular Weight:263.6434696
Hs Code.:2934999090
DSSTox Substance ID:DTXSID40567869
Wikidata:Q82453905
Mol file:125290-76-8.mol

Synonyms:125290-76-8;2-(3-CHLORO-2,4,5-TRIFLUOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE;2-(3-chloro-2,4,5-trifluorophenyl)-4,4-dimethyl-5H-1,3-oxazole;2-(3-chloro-2,4,5-trifluorophenyl)-4,4-dimethyl-5H-oxazole;IUMQZQZGWNIUDS-UHFFFAOYSA-N;SCHEMBL9089149;DTXSID40567869;A805365;2-(3-chloro-2,4,5-trifluoro-phenyl)-4,4-dimethyl-5H-oxazole;2-(3-Chloro-2,4,5-trifluorophenyl)-4,4-dimethyl-2-oxazoline;2-(3-Chloro-2,4,5-trifluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole;2-(3-Chloro-2,4,5-trifluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole

Suppliers and Price of 2-(3-Chloro-2,4,5-trifluorophenyl)-4,5-dihydro-4,4-dimethyloxazole

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
2-(3-CHLORO-2,4,5-TRIFLUOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE 95.00%
5MG
$ 495.28

Total 2 raw suppliers

Chemical Property of 2-(3-Chloro-2,4,5-trifluorophenyl)-4,5-dihydro-4,4-dimethyloxazole

Chemical Property:

Boiling Point:296.4±40.0 °C(Predicted)
PKA:1.63±0.70(Predicted)
PSA：21.59000
Density:1.42±0.1 g/cm3(Predicted)
LogP:2.74830
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:263.0324761
Heavy Atom Count:17
Complexity:337

Purity/Quality:

97% ^*data from raw suppliers

2-(3-CHLORO-2,4,5-TRIFLUOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(COC(=N1)C2=CC(=C(C(=C2F)Cl)F)F)C

Technology Process of 2-(3-Chloro-2,4,5-trifluorophenyl)-4,5-dihydro-4,4-dimethyloxazole

There total 5 articles about 2-(3-Chloro-2,4,5-trifluorophenyl)-4,5-dihydro-4,4-dimethyloxazole 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:

: 116-16-5
1,1,1,3,3,3-hexachloro-propan-2-one

: 125290-72-4
2-(2,4,5-trifluorophenyl)-4,4-dimethyl-2-oxazoline

: 125290-76-8
2-(3-chloro-2,4,5-trifluorophenyl)-4,4-dimethyl-2-oxazoline

Guidance literature:: With n-butyllithium; diisopropylamine; In tetrahydrofuran; water;

Reference yield:

: 446-17-3
2,4,5-trifluorobenzoic acid

: 125290-76-8
2-(3-chloro-2,4,5-trifluorophenyl)-4,4-dimethyl-2-oxazoline

Guidance literature:: Multi-step reaction with 4 steps

1: COCl₂, DMF / CH₂Cl₂ / Ambient temperature

2: CH₂Cl₂ / Ambient temperature

3: SOCl₂ / CHCl₃ / Ambient temperature

4: 1) lithium diisopropylamide, 2) hexachloroacetone / 1) THF, -78 deg C, 2) up to room temp.

With thionyl chloride; 1,1,1,3,3,3-hexachloro-propan-2-one; N,N-dimethyl-formamide; lithium diisopropyl amide; In dichloromethane; chloroform;
DOI:10.1002/jhet.5570270616

Reference yield:

: 88419-56-1
2,4,5-trifluorobenzoyl chloride

: 125290-76-8
2-(3-chloro-2,4,5-trifluorophenyl)-4,4-dimethyl-2-oxazoline

Guidance literature:: Multi-step reaction with 3 steps

1: CH₂Cl₂ / Ambient temperature

2: SOCl₂ / CHCl₃ / Ambient temperature

3: 1) lithium diisopropylamide, 2) hexachloroacetone / 1) THF, -78 deg C, 2) up to room temp.

With thionyl chloride; 1,1,1,3,3,3-hexachloro-propan-2-one; lithium diisopropyl amide; In dichloromethane; chloroform;
DOI:10.1002/jhet.5570270616