Methyl 2-cyano-3-nitrobenzoate

Base Information

Chemical Name:Methyl 2-cyano-3-nitrobenzoate
CAS No.:77326-46-6
Molecular Formula:C9H6N2O4
Molecular Weight:206.158
Hs Code.:
DSSTox Substance ID:DTXSID401306904
Mol file:77326-46-6.mol

Synonyms:Methyl 2-cyano-3-nitrobenzoate;77326-46-6;Methyl2-cyano-3-nitrobenzoate;C9H6N2O4;DTXSID401306904;AMY28107;CL9436;MFCD25967115;AKOS025147014;DS-8557;CS-0042729;A865285

Suppliers and Price of Methyl 2-cyano-3-nitrobenzoate

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
Methyl2-cyano-3-nitrobenzoate 95+%
5g
$ 185.00

Chemenu
Methyl2-cyano-3-nitrobenzoate 95%
5g
$ 179.00

Ambeed
Methyl2-cyano-3-nitrobenzoate 97%
1g
$ 19.00

Ambeed
Methyl2-cyano-3-nitrobenzoate 97%
250mg
$ 8.00

AK Scientific
Methyl2-cyano-3-nitrobenzoate
1g
$ 87.00

Abosyn
methyl2-cyano-3-nitrobenzoate 95%-98%
1g
$ 570.00

Total 16 raw suppliers

Chemical Property of Methyl 2-cyano-3-nitrobenzoate

Chemical Property:

PSA：95.91000
LogP:1.77628
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:206.03275668
Heavy Atom Count:15
Complexity:314

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-cyano-3-nitrobenzoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C#N

Technology Process of Methyl 2-cyano-3-nitrobenzoate

There total 5 articles about Methyl 2-cyano-3-nitrobenzoate 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: 61.0%

: 5337-09-7
2-bromo-3-nitro-benzoic acid methyl ester

: 544-92-3
copper(I) cyanide

: 77326-46-6
2-carbomethoxy-6-nitrobenzonitrile

Guidance literature:: In various solvent(s); at 120 - 130 ℃; for 3h;
DOI:10.1021/jm00163a067

Reference yield:

: 77326-45-5
2-carbamoyl-3-nitrobenzoic acid

: 77326-46-6
2-carbomethoxy-6-nitrobenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: methanol; diethyl ether

2: 1.) POCl₃, 2.) triethylamine / 1.) chloroform, 3 h, 2.) chloroform, RT, overnight

With triethylamine; trichlorophosphate; In methanol; diethyl ether;
DOI:10.1021/jm00138a020

Reference yield:

: 573-54-6
2-bromo-3-nitro-benzoic acid

: 77326-46-6
2-carbomethoxy-6-nitrobenzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / 1 h / Heating

2: 1 h / Heating

3: 61 percent / various solvent(s) / 3 h / 120 - 130 °C

With thionyl chloride; In various solvent(s);
DOI:10.1021/jm00163a067