Methyl 2-amino-4-cyanobenzoate

Base Information

Chemical Name:Methyl 2-amino-4-cyanobenzoate
CAS No.:159847-83-3
Molecular Formula:C9H8N2O2
Molecular Weight:176.175
Hs Code.:2926909090
DSSTox Substance ID:DTXSID901256512
Mol file:159847-83-3.mol

Synonyms:METHYL 2-AMINO-4-CYANOBENZOATE;159847-83-3;Benzoic acid, 2-amino-4-cyano-, methyl ester;SCHEMBL1891146;Methyl-2-amino-4-cyanobenzoate;VCYAYJCEAKQYAM-UHFFFAOYSA-N;DTXSID901256512;AMY39245;CL9162;MFCD20690800;METHYL2-AMINO-4-CYANOBENZOATE;AS-46230;CS-0150882;FT-0743188;EN300-199416;A929715

Suppliers and Price of Methyl 2-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

Usbiological
Methyl 2-amino-4-cyanobenzoate
100mg
$ 312.00

TRC
Methyl2-amino-4-cyanobenzoate
100mg
$ 50.00

SynQuest Laboratories
Methyl 2-amino-4-cyanobenzoate
5 g
$ 880.00

SynQuest Laboratories
Methyl 2-amino-4-cyanobenzoate
1 g
$ 224.00

Crysdot
Methyl2-amino-4-cyanobenzoate 95+%
5g
$ 270.00

Crysdot
Methyl2-amino-4-cyanobenzoate 95+%
10g
$ 417.00

Apolloscientific
Methyl2-amino-4-cyanobenzoate
5g
$ 798.00

Apolloscientific
Methyl2-amino-4-cyanobenzoate
1g
$ 203.00

Ambeed
Methyl2-amino-4-cyanobenzoate 98%
5g
$ 320.00

Ambeed
Methyl2-amino-4-cyanobenzoate 98%
250mg
$ 40.00

Total 10 raw suppliers

Chemical Property of Methyl 2-amino-4-cyanobenzoate

Chemical Property:

Boiling Point:357.9±27.0 °C(Predicted)
PKA:0.67±0.10(Predicted)
PSA：76.11000
Density:1.26±0.1 g/cm3(Predicted)
LogP:1.50828
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
XLogP3:2.4
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:

98%min ^*data from raw suppliers

Methyl 2-amino-4-cyanobenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Methyl 2-amino-4-cyanobenzoate

There total 7 articles about Methyl 2-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: 95.0%

: 52449-76-0
2-nitro-4-cyanobenzoic acid methyl ester

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

Guidance literature:: 2-nitro-4-cyanobenzoic acid methyl ester; With tin(ll) chloride; In dichloromethane; ethyl acetate; at 20 ℃;

With sodium hydrogencarbonate; In dichloromethane; water; ethyl acetate;

Reference yield: 76.0%

: methyl 4-cyano-2-[(trifluoroacetyl)amino]benzoate

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

Guidance literature:: With water; potassium carbonate; In methanol; at 50 ℃; for 2h;

Reference yield:

: 2237-30-1
m-cyanoaniline

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

Guidance literature:: Multi-step reaction with 3 steps

1: NH₂OH*HCl, Na₂SO₄, conc. HCl / dioxane; H₂O / 0.75 h / Heating

2: 1.) conc. H₂SO₄, 2.) 30percent aq. H₂O₂, 1 N aq. NaOH / 1.) 80 deg C, 10 min, 2.) RT

3: diethyl ether

With hydrogenchloride; sodium hydroxide; sulfuric acid; hydroxylamine hydrochloride; dihydrogen peroxide; sodium sulfate; In 1,4-dioxane; diethyl ether; water;
DOI:10.1021/jm00074a020