Methyl 4-amino-3-cyanobenzoate

Base Information

Chemical Name:Methyl 4-amino-3-cyanobenzoate
CAS No.:159847-80-0
Molecular Formula:C9H8N2O2
Molecular Weight:176.175
Hs Code.:2926907090
DSSTox Substance ID:DTXSID40439911
Nikkaji Number:J725.608F
Wikidata:Q82256014
Mol file:159847-80-0.mol

Synonyms:METHYL 4-AMINO-3-CYANOBENZOATE;159847-80-0;Benzoic acid, 4-amino-3-cyano-, methyl ester;MFCD16038776;4-amino-3-cyanoBenzoic acid methyl ester;SCHEMBL3446199;DTXSID40439911;QSPXZVQTLYMWEU-UHFFFAOYSA-N;CL9167;METHYL4-AMINO-3-CYANOBENZOATE;AKOS022189498;DS-9244;3-Cyano-4-aminobenzoic acid methyl ester;SY103373;4-Amino-3-cyano-benzoic acid methyl ester;CS-0043714;EN300-170826;A883271;Z1255401218

Suppliers and Price of Methyl 4-amino-3-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

TRC
Methyl4-Amino-3-Cyanobenzoate
100mg
$ 60.00

TRC
Methyl4-Amino-3-Cyanobenzoate
50mg
$ 45.00

Crysdot
Methyl4-amino-3-cyanobenzoate 98%
1g
$ 144.00

Crysdot
Methyl4-amino-3-cyanobenzoate 98%
5g
$ 438.00

Crysdot
Methyl4-amino-3-cyanobenzoate 98%
10g
$ 695.00

Chemenu
methyl4-amino-3-cyanobenzoate 95+%
10g
$ 688.00

Chemenu
methyl4-amino-3-cyanobenzoate 95+%
25g
$ 1326.00

Chemenu
methyl4-amino-3-cyanobenzoate 95+%
5g
$ 442.00

Chemenu
methyl4-amino-3-cyanobenzoate 95+%
1g
$ 162.00

Ambeed
Methyl4-amino-3-cyanobenzoate 98%
250mg
$ 63.00

Total 11 raw suppliers

Chemical Property of Methyl 4-amino-3-cyanobenzoate

Chemical Property:

PSA：76.11000
LogP:1.50828
Storage Temp.:2-8°C(protect from light)
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:

97% ^*data from raw suppliers

Methyl4-Amino-3-Cyanobenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-amino-3-cyanobenzoate

There total 4 articles about Methyl 4-amino-3-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: 99.0%

: 177913-37-0
4-amino-5-cyano-1-hydroxycyclohexa-2,4-dienecarboxylic acid methyl ester

: 159847-80-0
4-amino-3-cyanobenzoic acid methyl ester

Guidance literature:: With boron trifluoride diethyl etherate; In benzene; at 80 ℃; for 1h;
DOI:10.1016/0040-4039(96)00440-6

Reference yield:

: 4-amino-1-hydroxy-3-cyano-cyclohexa-2,4-dienecarboxylic acid methyl ester

: 159847-80-0
4-amino-3-cyanobenzoic acid methyl ester

Guidance literature:: 4-amino-1-hydroxy-3-cyano-cyclohexa-2,4-dienecarboxylic acid methyl ester; With boron trifluoride diethyl etherate; In tetrahydrofuran; diethyl ether; toluene; at 85 ℃; for 0.5h;

With sodium hydroxide; water; In tetrahydrofuran; diethyl ether; toluene; at 0 ℃;

Reference yield:

: 615-57-6
2,4-dibromo-aniline

: 159847-80-0
4-amino-3-cyanobenzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 31 percent / dimethylformamide / 21 h / 140 °C

2: 2.) conc. HCl / 1.) phosphate buffer pH 7.0, nitrilase SP 361, 30 deg C, 49 h, 2.) reflux, 65 h

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