Benzoic acid, 3-(1-methylethyl)-, methyl ester

Base Information

Chemical Name:Benzoic acid, 3-(1-methylethyl)-, methyl ester
CAS No.:64277-85-6
Molecular Formula:C11H14O2
Molecular Weight:178.231
Hs Code.:
DSSTox Substance ID:DTXSID10483587
Nikkaji Number:J167.576A
Wikidata:Q82321009

Synonyms:64277-85-6;Benzoic acid, 3-(1-methylethyl)-, methyl ester;Methyl 3-isopropylbenzoate;SCHEMBL84441;DTXSID10483587

Suppliers and Price of Benzoic acid, 3-(1-methylethyl)-, methyl ester

Supply Marketing:

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

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Chemical Property of Benzoic acid, 3-(1-methylethyl)-, methyl ester

Chemical Property:

Boiling Point:82-83 °C(Press: 2.0-2.1 Torr)
PSA：26.30000
Density:1.004±0.06 g/cm3(Predicted)
LogP:2.59660
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:175

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=CC(=CC=C1)C(=O)OC

Technology Process of Benzoic acid, 3-(1-methylethyl)-, methyl ester

There total 7 articles about Benzoic acid, 3-(1-methylethyl)-, methyl ester 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: 91.0%

: 618-89-3
methyl 3-bromobenzoate

: 1888-75-1
isopropyllithium

: 64277-85-6
methyl 3-(isopropyl)benzoate

Guidance literature:: methyl 3-bromobenzoate; With bis(tri-tert-butylphosphine)palladium⁽⁰⁾; sodium chloride; In water; at 20 ℃; for 0.166667h; Schlenk technique;

isopropyllithium; With zinc(II) chloride; In 2-methyltetrahydrofuran; water; at 10 ℃; for 0.00555556h; chemoselective reaction; Schlenk technique;
DOI:10.1002/anie.202101571

Reference yield:

: 2905-65-9
methyl 3-chlorobenzoate

: 1068-55-9
isopropylmagnesium chloride

: 93-58-3,5705-52-2,80226-58-0
benzoic acid methyl ester

: 64277-85-6
methyl 3-(isopropyl)benzoate

Guidance literature:: With 1-methyl-pyrrolidin-2-one; iron(III)-acetylacetonate; In tetrahydrofuran; at -20 ℃; for 0.5h; Inert atmosphere;
DOI:10.1002/adsc.201601097