3-[4-(Propan-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Base Information

Chemical Name:3-[4-(Propan-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CAS No.:886967-70-0
Molecular Formula:C₁₃H₁₅NO₃
Molecular Weight:233.267
Hs Code.:
DSSTox Substance ID:DTXSID701163983
Mol file:886967-70-0.mol

Synonyms:886967-70-0;3-[4-(Propan-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid;3-(4-Isopropylphenyl)-4,5-dihydroisoxazole-5-carboxylic acid;DTXSID701163983;3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic Acid;MFCD11203718;4,5-Dihydro-3-[4-(1-methylethyl)phenyl]-5-isoxazolecarboxylic acid

Suppliers and Price of 3-[4-(Propan-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid

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

Total 2 raw suppliers

Chemical Property of 3-[4-(Propan-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Chemical Property:

Boiling Point:378.0±52.0 °C(Predicted)
PKA:2.77±0.40(Predicted)
Density:1.23±0.1 g/cm3(Predicted)
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:233.10519334
Heavy Atom Count:17
Complexity:317

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C1=CC=C(C=C1)C2=NOC(C2)C(=O)O

Technology Process of 3-[4-(Propan-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid

There total 2 articles about 3-[4-(Propan-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid 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: 95.0%

: 886967-64-2
ethyl 3-(4-isopopylphenyl)-4,5-dihydroisoxazole-5-carboxylate

: 886967-70-0
3-(4-isopropylphenyl)-4,5-dihydroisoxazole-5-carboxylic acid

Guidance literature:: With sodium hydroxide; In ethanol; Heating;
DOI:10.1002/jhet.5570430240

Reference yield:

: 61946-90-5
4-isopropylphenylhydroximoyl chloride

: 886967-70-0
3-(4-isopropylphenyl)-4,5-dihydroisoxazole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / triethylamine; MgSO₄ / toluene / 20 °C

2: 95 percent / aq. sodium hydroxide / aq. ethanol / Heating

With sodium hydroxide; magnesium sulfate; triethylamine; In ethanol; toluene;
DOI:10.1002/jhet.5570430240

Reference yield:

: 886967-70-0
3-(4-isopropylphenyl)-4,5-dihydroisoxazole-5-carboxylic acid

: 13816-33-6
p-Cyanocumen

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl chloride / benzene / 1.5 h / Heating

2: 12 percent / triethylamine / benzene / 1 h / Heating

With oxalyl dichloride; triethylamine; In benzene;
DOI:10.1002/jhet.5570430240