3-(4-Methylphenyl)oxirane-2-carboxylic acid

Base Information

Chemical Name:3-(4-Methylphenyl)oxirane-2-carboxylic acid
CAS No.:81476-88-2
Molecular Formula:C₁₀H₉O₃*Na
Molecular Weight:200.169
Hs Code.:
Metabolomics Workbench ID:44618
Nikkaji Number:J1.579.869F

Synonyms:3-(4-Methylphenyl)oxirane-2-carboxylic acid;736091-94-4;3-(4-Methylphenyl)oxiranecarboxylic acid;81476-88-2;SCHEMBL8755520;CHEBI:189899;3-(P-tolyl)oxirane-2-carboxylic acid;CS-0365739

Suppliers and Price of 3-(4-Methylphenyl)oxirane-2-carboxylic acid

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(4-Methylphenyl)oxirane-2-carboxylic acid

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:178.062994177
Heavy Atom Count:13
Complexity:206

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2C(O2)C(=O)O

Technology Process of 3-(4-Methylphenyl)oxirane-2-carboxylic acid

There total 1 articles about 3-(4-Methylphenyl)oxirane-2-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: 76.0%

: 104-87-0
4-methyl-benzaldehyde

: 105-39-5
chloroacetic acid ethyl ester

: 81476-88-2
sodium p-tolylglycidate

Guidance literature:: With sodium ethanolate; In ethanol; 1.) 0 deg C, 12 h, 2.) room temperature, 6 h, 3.) reflux, 8 h;
DOI:10.1021/ja00376a032

Reference yield:

: 81476-88-2
sodium p-tolylglycidate

: 52773-84-9
p-methylphenylserine

Guidance literature:: Multi-step reaction with 2 steps

1: 6.9 g / sodium hydroxide / H₂O / 36 h / 130 °C

2: 3.9 g / H₂ / Pd on charcoal / aq. ethanol / 30 h / Ambient temperature

With sodium hydroxide; hydrogen; palladium on activated charcoal; In ethanol; water;
DOI:10.1021/ja00376a032