Methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

Base Information

Chemical Name:Methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate
CAS No.:65715-48-2
Molecular Formula:C13H17N3O4
Molecular Weight:279.296
Hs Code.:
DSSTox Substance ID:DTXSID80387700
Wikidata:Q82182110
ChEMBL ID:CHEMBL1430725

Synonyms:65715-48-2;methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate;Benzoic acid, 4-(4-methyl-1-piperazinyl)-3-nitro-, methyl ester;methyl 4-(4-methyl-1-piperazinyl)-3-nitrobenzoate;HMS2647P05;Oprea1_018955;MLS000684469;SCHEMBL4289177;CHEMBL1430725;methyl 4-(4-methylpiperazino)-3-nitrobenzenecarboxylate;DTXSID80387700;VRPYNGMXXLTUOL-UHFFFAOYSA-N;MFCD02083000;STK171904;AKOS003665894;SMR000269640;methyl 4-(4-methylpiperazino)-3-nitrobenzoate;1R-0626;methyl4-(4-methylpiperazin-1-yl)-3-nitrobenzoate;4-(4-methyl-piperazin-1-yl)-3-nitro-benzoic acid Methyl Ester

Suppliers and Price of Methyl 4-(4-methylpiperazin-1-yl)-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

Matrix Scientific
Methyl 4-(4-methylpiperazino)-3-nitrobenzenecarboxylate
5g
$ 7343.00

Matrix Scientific
Methyl 4-(4-methylpiperazino)-3-nitrobenzenecarboxylate
1g
$ 1836.00

Matrix Scientific
Methyl 4-(4-methylpiperazino)-3-nitrobenzenecarboxylate
500mg
$ 918.00

American Custom Chemicals Corporation
METHYL 4-(4-METHYLPIPERAZINO)-3-NITROBENZENECARBOXYLATE 95.00%
5MG
$ 623.82

American Custom Chemicals Corporation
METHYL 4-(4-METHYLPIPERAZINO)-3-NITROBENZENECARBOXYLATE 95.00%
1MG
$ 586.97

Total 1 raw suppliers

Chemical Property of Methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

Chemical Property:

PSA：78.60000
LogP:1.65930
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:279.12190603
Heavy Atom Count:20
Complexity:363

Purity/Quality:: Methyl 4-(4-methylpiperazino)-3-nitrobenzenecarboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Technology Process of Methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

There total 3 articles about Methyl 4-(4-methylpiperazin-1-yl)-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: 79.3%

: 109-01-3
1-methyl-piperazine

: 329-59-9
4-fluoro-3-nitro-benzoic acid methyl ester

: 65715-48-2
methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;
DOI:10.1016/j.bmc.2016.09.073

Reference yield:

: 453-71-4
3-nitro-4-fluorobenzoic acid

: 65715-48-2
methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / 6 h / Reflux

2: triethylamine / dichloromethane / 0.5 h / 20 °C / Inert atmosphere

3: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.5 h / 20 °C

With thionyl chloride; triethylamine; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2016.09.073

Reference yield:

: 400-94-2
4-fluoro-3-nitrobenzoyl chloride

: 65715-48-2
methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 0.5 h / 20 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.5 h / 20 °C

With triethylamine; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2016.09.073