Methyl 3-(cyanomethyl)-2-methoxybenzoate

Base Information

Chemical Name:Methyl 3-(cyanomethyl)-2-methoxybenzoate
CAS No.:1255099-42-3
Molecular Formula:C₁₁H₁₁NO₃
Molecular Weight:205.213
Hs Code.:
DSSTox Substance ID:DTXSID10695148
Wikidata:Q82624212

Synonyms:methyl 3-(cyanomethyl)-2-methoxybenzoate;1255099-42-3;METHYL 3-CYANOMETHYL-2-METHOXYBENZOATE;SCHEMBL4324495;DTXSID10695148;methyl3-(cyanomethyl)-2-methoxybenzoate

Suppliers and Price of Methyl 3-(cyanomethyl)-2-methoxybenzoate

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

Crysdot
Methyl3-(cyanomethyl)-2-methoxybenzoate 95+%
1g
$ 351.00

Alichem
Methyl3-(cyanomethyl)-2-methoxybenzoate
1g
$ 400.00

Total 2 raw suppliers

Chemical Property of Methyl 3-(cyanomethyl)-2-methoxybenzoate

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:205.07389321
Heavy Atom Count:15
Complexity:268

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Methyl3-(cyanomethyl)-2-methoxybenzoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=CC=C1C(=O)OC)CC#N

Technology Process of Methyl 3-(cyanomethyl)-2-methoxybenzoate

There total 3 articles about Methyl 3-(cyanomethyl)-2-methoxybenzoate 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: 89.0%

: 7677-24-9
trimethylsilyl cyanide

: 87165-53-5
methyl 2-methoxy-3-(bromomethyl)benzoate

: 1255099-42-3
methyl 3-(cyanomethyl)-2-methoxybenzoate

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield:

: 83-40-9
3-methylsalicylic acid

: 1255099-42-3
methyl 3-(cyanomethyl)-2-methoxybenzoate

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 50 °C

2: dibenzoyl peroxide; N-Bromosuccinimide / tetrachloromethane / 16 h / Reflux

3: tetrabutyl ammonium fluoride / tetrahydrofuran / 16 h / 20 °C

With N-Bromosuccinimide; tetrabutyl ammonium fluoride; potassium carbonate; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane; N,N-dimethyl-formamide;

Reference yield:

: 52239-62-0
methyl 2-methoxy-3-methylbenzoate

: 1255099-42-3
methyl 3-(cyanomethyl)-2-methoxybenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: dibenzoyl peroxide; N-Bromosuccinimide / tetrachloromethane / 16 h / Reflux

2: tetrabutyl ammonium fluoride / tetrahydrofuran / 16 h / 20 °C

With N-Bromosuccinimide; tetrabutyl ammonium fluoride; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane;