Methyl 3-amino-5-cyanobenzoate

Base Information

Chemical Name:Methyl 3-amino-5-cyanobenzoate
CAS No.:199536-01-1
Molecular Formula:C9H8N2O2
Molecular Weight:176.175
Hs Code.:2926909090
European Community (EC) Number:675-538-8
DSSTox Substance ID:DTXSID60590437
Wikidata:Q82484131
Mol file:199536-01-1.mol

Synonyms:Methyl 3-amino-5-cyanobenzoate;199536-01-1;3-amino-5-cyano-benzoic acid methyl ester;Benzoic acid, 3-amino-5-cyano-, methyl ester;MFCD08060133;SCHEMBL46408;DTXSID60590437;PEYGSXLYSVLVEL-UHFFFAOYSA-N;ZHA53601;METHYL3-AMINO-5-CYANOBENZOATE;AKOS006285711;DS-9220;AC-28504;DA-32759;SY064368;CS-0043716;N10507;EN300-6738632;1,2-DIAMINONAPHTHALENE-5,7-DISULFONICACID;A814105;J-012886;Z1198175714

Suppliers and Price of Methyl 3-amino-5-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
Methyl3-amino-5-cyanobenzoate
100mg
$ 90.00

TRC
Methyl3-amino-5-cyanobenzoate
50mg
$ 45.00

SynQuest Laboratories
Methyl 3-amino-5-cyanobenzoate 98.0%
250 mg
$ 50.00

SynQuest Laboratories
Methyl 3-amino-5-cyanobenzoate 98.0%
1 g
$ 226.00

SynQuest Laboratories
Methyl 3-amino-5-cyanobenzoate 98.0%
5 g
$ 900.00

Labseeker
Methyl3-amino-5-cyanobenzoate 95
5g
$ 466.00

Crysdot
Methyl3-amino-5-cyanobenzoate 95+%
25g
$ 277.00

Crysdot
Methyl3-amino-5-cyanobenzoate 95+%
100g
$ 842.00

CHESS?
3-Amino-5-cyano-benzoicacidmethylester >98
5 g
$ 48740.00

CHESS?
3-Amino-5-cyano-benzoicacidmethylester >98
1 g
$ 12190.00

Total 11 raw suppliers

Chemical Property of Methyl 3-amino-5-cyanobenzoate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:128oC
Boiling Point:371.488oC at 760 mmHg
PKA:1?+-.0.10(Predicted)
Flash Point:178.47oC
PSA：76.11000
Density:1.262g/cm3
LogP:1.50828
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:1.2
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

Methyl3-amino-5-cyanobenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-amino-5-cyanobenzoate

There total 7 articles about Methyl 3-amino-5-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%

: 99066-80-5
methyl 3-cyano-5-nitrobenzoate

: 199536-01-1
methyl 3-amino-5-cyanobenzoate

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; methanol; at 20 ℃; for 4h;

Reference yield: 30.0%

: 145013-05-4
tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate

: 183430-98-0
methyl 3-amino-5-[(N-hydroxylimino)methyl]benzoate

: 199536-01-1
methyl 3-amino-5-cyanobenzoate

: 183431-00-7
methyl 3-({[(tert-butoxycarbonyl)amino][(tert-butoxycarbonyl)imino]methyl}amino)-5-[(N-hydroxyimino)methyl]benzoate

Guidance literature:: With triethylamine; mercury dichloride; In N,N-dimethyl-formamide; 1.) 5 deg C, 0.5 h, 2.) RT, 18 h;
DOI:10.1021/jm970479e

Reference yield:

: 1955-46-0
5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester

: 199536-01-1
methyl 3-amino-5-cyanobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: SO₂(NH₂)2; SOCl₂ / tetrahydrothiophene 1,1-dioxide / 42 h / Heating

2: H₂ / Pd/C / methanol

With thionyl chloride; hydrogen; SULFAMIDE; palladium on activated charcoal; In sulfolane; methanol;
DOI:10.1002/anie.200460770