3-(Methoxycarbonyl)-5-nitrobenzoic acid

Base Information Edit

Chemical Name:3-(Methoxycarbonyl)-5-nitrobenzoic acid
CAS No.:1955-46-0
Molecular Formula:C9H7NO6
Molecular Weight:225.158
Hs Code.:29173980
European Community (EC) Number:217-793-6
UNII:V8UVV7P68X
DSSTox Substance ID:DTXSID50883784
Nikkaji Number:J199.778E
Wikidata:Q72493616
Mol file:1955-46-0.mol

Synonyms:1955-46-0;3-(Methoxycarbonyl)-5-nitrobenzoic acid;5-Nitroisophthalic acid monomethyl ester;Methyl 5-nitroisophthalate;Monomethyl 5-nitroisophthalate;Mono-methyl 5-nitroisophthalate;3-methoxycarbonyl-5-nitrobenzoic acid;5-Nitroisophthalic acid, monomethyl ester;Methyl hydrogen 5-nitroisophthalate;V8UVV7P68X;1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester;1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester;Methyl 5-nitrohydrogen.isophthalate;EINECS 217-793-6;EC 217-793-6;mono-Methyl-5-nitroisophthalic acid;MONO-METHYL-5-NITROISOPHTHALATE;Monomethyl 5-nitrobenzene-1,3-dicarboxylate;MFCD00009793;3-methoxycarbonyl-5-nitro-benzoic acid;Methyl5-nitroisophthalate;UNII-V8UVV7P68X;SCHEMBL38446;DTXSID50883784;methyl 3-carboxy-5-nitrobenzoate;BCP31398;STL069446;3-nitro-5-methoxycarbonylbenzoic acid;AKOS000119453;mono-Methyl 5-nitroisophthalate, 99%;AB00998;CS-W020559;5-nitro-isophthalic acid monomethylester;5-nitro-isophtalic acid mono methyl ester;5-nitro-isophthalic acid monomethyl ester;5-nitroisophthalic acid mono-methyl ester;AC-11502;5-nitro-isophthalic acid mono methyl ester;3-(Methoxycarbonyl)-5-nitrobenzoic acid #;FT-0620714;N0641;EN300-20315;W-107688;Z104477720;5-NITRO-1,3-BENZENEDICARBOXYLIC ACID METHYL ESTER;mono-Methyl 5-nitroisophthalate, PESTANAL(R), analytical standard

Suppliers and Price of 3-(Methoxycarbonyl)-5-nitrobenzoic acid

Supply Marketing:Edit

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
Methyl5-Nitroisophthalate
50g
$ 250.00

TRC
Methyl5-Nitroisophthalate
5g
$ 120.00

TCI Chemical
Monomethyl 5-Nitroisophthalate >98.0%(T)
500g
$ 285.00

TCI Chemical
Monomethyl 5-Nitroisophthalate >98.0%(T)
25g
$ 39.00

Sigma-Aldrich
mono-Methyl 5-nitroisophthalate 99%
100g
$ 95.20

Oakwood
3-(Methoxycarbonyl)-5-nitrobenzoicacid 98%
100g
$ 155.00

Medical Isotopes, Inc.
Methyl5-Nitroisophthalate
5 g
$ 610.00

Frontier Specialty Chemicals
mono-Methyl 5-nitroisophthalate
500g
$ 298.00

Frontier Specialty Chemicals
mono-Methyl 5-nitroisophthalate
25g
$ 36.00

Frontier Specialty Chemicals
mono-Methyl 5-nitroisophthalate
100g
$ 102.00

Total 111 raw suppliers

Chemical Property of 3-(Methoxycarbonyl)-5-nitrobenzoic acid Edit

Chemical Property:

Appearance/Colour:slightly yellow fine crystalline powder
Vapor Pressure:8.56E-08mmHg at 25°C
Melting Point:180-182 °C(lit.)
Refractive Index:1.5200 (estimate)
Boiling Point:360.199 °C at 760 mmHg
PKA:3.11±0.10(Predicted)
Flash Point:164.79 °C
PSA：109.42000
Density:1.35 g/cm³
LogP:1.60280
Storage Temp.:Store below +30°C.
Solubility.:9g/L in organic solvents at 20 ℃
Water Solubility.:insoluble
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:225.02733694
Heavy Atom Count:16
Complexity:310

Purity/Quality:

98.0% min ^*data from raw suppliers

Methyl5-Nitroisophthalate ^*data from reagent suppliers

Safty Information:

Pictogram(s): T+
Hazard Codes:T+
Statements: 36/37/38-26/27/28
Safety Statements: 22-24/25-45-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]
Uses Methyl 5-nitroisophthalate is used in the preparation of heterotrifunctional crosslinkers for multiple bioconjugation with peptides and also in the synthesis of histone demethylase LSD1 inhibitors tha t target cancer cells. mono-Methyl 5-nitroisophthalate has been used as starting reagent in the synthesis of 3-amide-5-[(dipropylamino)carbonyl]benzoic acids.

Technology Process of 3-(Methoxycarbonyl)-5-nitrobenzoic acid

There total 5 articles about 3-(Methoxycarbonyl)-5-nitrobenzoic acid 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: 75.0%