Methyl 3-(3-oxopropyl)benzoate

Base Information

Chemical Name:Methyl 3-(3-oxopropyl)benzoate
CAS No.:111393-29-4
Molecular Formula:C11H12O3
Molecular Weight:192.214
Hs Code.:
DSSTox Substance ID:DTXSID80438524
Nikkaji Number:J1.620.208H
Wikidata:Q72499091
Mol file:111393-29-4.mol

Synonyms:Methyl 3-(3-oxopropyl)benzoate;111393-29-4;3-(3-Oxo-propyl)-benzoic acid methyl ester;3-(3-oxopropyl)benzoic acid methyl ester;BENZOIC ACID, 3-(3-OXOPROPYL)-, METHYL ESTER;Methyl3-(3-oxopropyl)benzoate;SCHEMBL9623658;DTXSID80438524;ZDUJHVJJESWQOS-UHFFFAOYSA-N;3-(3-Methoxycarbonylphenyl)propanal;AKOS006314283;AB54705;FT-0713504;F19805;EN300-1826273;A850088;J-510627

Suppliers and Price of Methyl 3-(3-oxopropyl)benzoate

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

TRC
Methyl3-(3-Oxopropyl)benzoate
100mg
$ 200.00

American Custom Chemicals Corporation
3-(3-OXO-PROPYL)BENZOIC ACID METHYL ESTER 95.00%
5MG
$ 495.58

Total 12 raw suppliers

Chemical Property of Methyl 3-(3-oxopropyl)benzoate

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Boiling Point:298.021oC at 760 mmHg
Flash Point:129.335oC
PSA：43.37000
Density:1.105g/cm3
LogP:1.60470
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:192.078644241
Heavy Atom Count:14
Complexity:201

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-(3-Oxopropyl)benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC(=C1)CCC=O

Technology Process of Methyl 3-(3-oxopropyl)benzoate

There total 9 articles about Methyl 3-(3-oxopropyl)benzoate 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: 82.0%

: 358751-02-7
methyl 3-(but-3-en-1-yl)benzoate

: 111393-29-4
methyl 3-(3-oxopropyl)benzoate

Guidance literature:: methyl 3-(but-3-en-1-yl)benzoate; With ozone; In dichloromethane; at -78 ℃;

With dimethylsulfide; In dichloromethane; at 20 ℃;
DOI:10.1081/SCC-100103323

Reference yield: 77.0%

: 4454-05-1
2-methoxy-3,4-dihydro-2H-pyran

: 6018-41-3
methyl coumalate

: 111393-29-4
methyl 3-(3-oxopropyl)benzoate

Guidance literature:: In toluene; at 200 ℃; for 16h; Inert atmosphere;
DOI:10.1016/j.tetlet.2013.02.083

Reference yield:

: 85431-06-7
methyl 3-(3-hydroxypropyl)benzoate

: 111393-29-4
methyl 3-(3-oxopropyl)benzoate

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; triethylamine; Multistep reaction; 1.) CH₂Cl₂, -40 deg C, 25 min, 2.) CH₂Cl₂, -40 deg C, 5 min;
DOI:10.1248/cpb.42.512