Methyl 3-amino-5-(4-methyl-1-piperazinyl)-2-nitrobenzoate

Base Information

Chemical Name:Methyl 3-amino-5-(4-methyl-1-piperazinyl)-2-nitrobenzoate
CAS No.:874301-33-4
Molecular Formula:C13H18N4O4
Molecular Weight:294.31
Hs Code.:
DSSTox Substance ID:DTXSID701198643

Synonyms:DTXSID701198643;Methyl 3-amino-5-(4-methyl-1-piperazinyl)-2-nitrobenzoate;AKOS015965826;874301-33-4

Suppliers and Price of Methyl 3-amino-5-(4-methyl-1-piperazinyl)-2-nitrobenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 3-amino-5-(4-methyl-1-piperazinyl)-2-nitrobenzoate

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:294.13280507
Heavy Atom Count:21
Complexity:392

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Methyl 3-amino-5-(4-methyl-1-piperazinyl)-2-nitrobenzoate

There total 3 articles about Methyl 3-amino-5-(4-methyl-1-piperazinyl)-2-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: 52.0%

: 874301-23-2
3-amino-5-chloro-2-nitrobenzoic acid methyl ester

: 109-01-3
1-methyl-piperazine

: 874301-33-4
3-amino-5-(4-methylpiperazin-1-yl)-2-nitrobenzoic acid methyl ester

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 105 ℃; for 3.5h;
DOI:10.1021/jo051836t

Reference yield:

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 874301-33-4
3-amino-5-(4-methylpiperazin-1-yl)-2-nitrobenzoic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 32 percent / O-methylhydroxylamine hydrochloride; copper(II) acetate monohydrate; potassium tert-butoxide / dimethylformamide / 3 h

2: 74 percent / H₂SO₄ / 90 h / Heating

3: 52 percent / potassium carbonate / dimethylformamide / 3.5 h / 105 °C

With sulfuric acid; potassium tert-butylate; N-methoxylamine hydrochloride; copper diacetate; potassium carbonate; In N,N-dimethyl-formamide;
DOI:10.1021/jo051836t

Reference yield:

: 193481-78-6
3-Amino-5-chloro-2-nitrobenzoic acid

: 874301-33-4
3-amino-5-(4-methylpiperazin-1-yl)-2-nitrobenzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / H₂SO₄ / 90 h / Heating

2: 52 percent / potassium carbonate / dimethylformamide / 3.5 h / 105 °C

With sulfuric acid; potassium carbonate; In N,N-dimethyl-formamide;
DOI:10.1021/jo051836t