Methyl 3-(2-cyanopropan-2-yl)-5-methylbenzoate

Base Information

Chemical Name:Methyl 3-(2-cyanopropan-2-yl)-5-methylbenzoate
CAS No.:120512-42-7
Molecular Formula:C13H15NO2
Molecular Weight:217.268
Hs Code.:
DSSTox Substance ID:DTXSID70598267
Wikidata:Q82494005
Mol file:120512-42-7.mol

Synonyms:120512-42-7;Methyl 3-(2-cyanopropan-2-yl)-5-methylbenzoate;methyl 3-(1-cyano-1-methylethyl)-5-methylbenzoate;SCHEMBL936865;DTXSID70598267;DB-319892

Suppliers and Price of Methyl 3-(2-cyanopropan-2-yl)-5-methylbenzoate

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 1 raw suppliers

Chemical Property of Methyl 3-(2-cyanopropan-2-yl)-5-methylbenzoate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:217.110278721
Heavy Atom Count:16
Complexity:313

Purity/Quality:: 99% ，98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=C1)C(C)(C)C#N)C(=O)OC

Technology Process of Methyl 3-(2-cyanopropan-2-yl)-5-methylbenzoate

There total 3 articles about Methyl 3-(2-cyanopropan-2-yl)-5-methylbenzoate 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: 78.0%

: 74-88-4
methyl iodide

: 120512-42-7
3-(cyano-dimethyl-methyl)-5-methylbenzoic acid methyl ester

Guidance literature:: 3-cyanomethyl-5-methyl-benzoic acid methyl ester; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 0 ℃; for 0.25h;

methyl iodide; In DMF (N,N-dimethyl-formamide); at 0 - 20 ℃; for 16h; Product distribution / selectivity;