Methyl 3-amino-4-cyanobenzoate

Base Information

Chemical Name:Methyl 3-amino-4-cyanobenzoate
CAS No.:159847-82-2
Molecular Formula:C₉H₈N₂O₂
Molecular Weight:176.175
Hs Code.:
DSSTox Substance ID:DTXSID701305355

Synonyms:methyl 3-amino-4-cyanobenzoate;159847-82-2;methyl3-amino-4-cyanobenzoate;SCHEMBL4950780;DTIYYWNOEAWKNZ-UHFFFAOYSA-N;DTXSID701305355;CL9387;3-amino-4-cyano-benzoic acid methyl ester;CS-0371415

Suppliers and Price of Methyl 3-amino-4-cyanobenzoate

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-amino-4-cyanobenzoate 95+%
5g
$ 794.00

Total 3 raw suppliers

Chemical Property of Methyl 3-amino-4-cyanobenzoate

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:176.058577502
Heavy Atom Count:13
Complexity:243

Purity/Quality:: Methyl3-amino-4-cyanobenzoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Methyl 3-amino-4-cyanobenzoate

There total 3 articles about Methyl 3-amino-4-cyanobenzoate 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: 60.0%

: 773837-37-9
sodium cyanide

: 412947-54-7
methyl 3-amino-4-iodobenzoate

: 159847-82-2
methyl 3-amino-4-cyanobenzoate

Guidance literature:: With C₁₈H₁₄CuIN₄; In acetonitrile; at 20 ℃; for 24h; Inert atmosphere; Sealed tube; UV-irradiation;
DOI:10.1002/adsc.201700213

Reference yield:

: 3638-73-1
2,5-dibromoaniline

: 159847-82-2
methyl 3-amino-4-cyanobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 29 percent / dimethylformamide / 21 h / 140 °C

2: 2.) conc. HCl / 1.) phosphate buffer pH 7.0, nitrilase SP 361, 95 deg C, 49 h, 2.) reflux, 65 h

With hydrogenchloride; In N,N-dimethyl-formamide;

Reference yield:

: 67-56-1
methanol

: 27391-37-3
2-aminoterephthalonitrile

: 159847-83-3
methyl 2-amino-4-cyanobenzoate

: 159847-82-2
methyl 3-amino-4-cyanobenzoate

Guidance literature:: With hydrogenchloride; Yield given. Multistep reaction. Yields of byproduct given; 1.) phosphate buffer pH 7.0, nitrilase SP 361, 95 deg C, 49 h, 2.) reflux, 65 h;