Benzoic acid, 2-[2-(4-methylphenyl)ethyl]-

Base Information

Chemical Name:Benzoic acid, 2-[2-(4-methylphenyl)ethyl]-
CAS No.:86693-59-6
Molecular Formula:C16H16O2
Molecular Weight:240.302
Hs Code.:
DSSTox Substance ID:DTXSID70443788
Wikidata:Q82261738

Synonyms:86693-59-6;Benzoic acid, 2-[2-(4-methylphenyl)ethyl]-;SCHEMBL9644043;DTXSID70443788;FT-0769815

Suppliers and Price of Benzoic acid, 2-[2-(4-methylphenyl)ethyl]-

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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 Benzoic acid, 2-[2-(4-methylphenyl)ethyl]-

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:240.115029749
Heavy Atom Count:18
Complexity:266

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)O

Technology Process of Benzoic acid, 2-[2-(4-methylphenyl)ethyl]-

There total 9 articles about Benzoic acid, 2-[2-(4-methylphenyl)ethyl]- 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: 83.0%

: 321534-83-2
methyl 2-(4-methylphenethyl)benzoate

: 86693-59-6
2-(4-methylphenethyl)benzoic acid

Guidance literature:: With sodium hydroxide; In methanol; at 20 ℃; for 15h;
DOI:10.1021/jm0002073

Reference yield: 68.0%

: 1-(2-(4-methylphenethyl)phenyl)ethanone

: 86693-59-6
2-(4-methylphenethyl)benzoic acid

Guidance literature:: With manganese(III) acetate tetrahydrate; oxygen; acetic acid; at 100 ℃; for 15h; Schlenk technique;
DOI:10.1002/anie.201408028

Reference yield:

: 60494-73-7
(2-methoxycarbonylbenzyl)triphenylphosphonium bromide

: 86693-59-6
2-(4-methylphenethyl)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: KOt-Bu / tetrahydrofuran / 1 h / 80 °C

1.2: 85 percent / tetrahydrofuran / 0.5 h / 80 °C

2.1: 74 percent / H₂ / 5percent Pd/C / ethanol; ethyl acetate / 0.67 h / 20 °C / 1900.13 Torr

3.1: 83 percent / aq. NaOH / methanol / 15 h / 20 °C

With sodium hydroxide; potassium tert-butylate; hydrogen; 5percent Pd/C; In tetrahydrofuran; methanol; ethanol; ethyl acetate;
DOI:10.1021/jm0002073