Methyl 3-nitro-4-piperazinobenzenecarboxylate

Base Information

Chemical Name:Methyl 3-nitro-4-piperazinobenzenecarboxylate
CAS No.:192441-86-4
Molecular Formula:C12H15N3O4
Molecular Weight:265.26500
Hs Code.:2933599090
DSSTox Substance ID:DTXSID30377474
Nikkaji Number:J853.356C
Wikidata:Q82166705
Mol file:192441-86-4.mol

Synonyms:192441-86-4;Methyl 3-nitro-4-piperazinobenzenecarboxylate;methyl 3-nitro-4-(piperazin-1-yl)benzoate;methyl 3-nitro-4-piperazin-1-ylbenzoate;3-Nitro-4-piperazin-1-yl-benzoic acid methyl ester;Benzoic acid, 3-nitro-4-(1-piperazinyl)-, methyl ester;MFCD01568499;Oprea1_528590;SCHEMBL14377108;DTXSID30377474;AKOS005071268;AKOS015996545;FT-0680729;3-Nitro-4-piperazinobenzoic acid methyl ester;9N-012;A880321

Suppliers and Price of Methyl 3-nitro-4-piperazinobenzenecarboxylate

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-Nitro-4-piperazinobenzenecarboxylate
500mg
$ 110.00

SynQuest Laboratories
Methyl 3-nitro-4-(piperazin-1-yl)benzoate 98.0%
250 mg
$ 50.00

SynQuest Laboratories
Methyl 3-nitro-4-(piperazin-1-yl)benzoate 98.0%
1 g
$ 127.00

SynQuest Laboratories
Methyl 3-nitro-4-(piperazin-1-yl)benzoate 98.0%
5 g
$ 278.00

Matrix Scientific
Methyl 3-nitro-4-piperazinobenzenecarboxylate >95%
1g
$ 454.00

Matrix Scientific
Methyl 3-nitro-4-piperazinobenzenecarboxylate >95%
500mg
$ 362.00

Matrix Scientific
Methyl 3-nitro-4-piperazinobenzenecarboxylate >95%
5g
$ 1040.00

CHESS?
3-Nitro-4-piperazin-1-yl-benzoicacidmethylester >98
5 g
$ 15020.00

Atlantic Research Chemicals
Methyl3-Nitro-4-piperizinobenzenecarboxylate 95%
1gm:
$ 81.29

American Custom Chemicals Corporation
3-NITRO-4-PIPERAZIN-1-YL-BENZOIC ACID METHYL ESTER 95.00%
10G
$ 2125.32

Total 8 raw suppliers

Chemical Property of Methyl 3-nitro-4-piperazinobenzenecarboxylate

Chemical Property:

Vapor Pressure:1.68E-08mmHg at 25°C
Melting Point:73-75oC
Boiling Point:456oC at 760 mmHg
Flash Point:229.6oC
PSA：87.39000
Density:1.278g/cm3
LogP:1.70800
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:265.10625597
Heavy Atom Count:19
Complexity:338

Purity/Quality:

99%, ^*data from raw suppliers

Methyl3-Nitro-4-piperazinobenzenecarboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-]

Technology Process of Methyl 3-nitro-4-piperazinobenzenecarboxylate

There total 2 articles about Methyl 3-nitro-4-piperazinobenzenecarboxylate 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:

: tert-butyl 4-[4-(methoxycarbonyl)-2-nitrophenyl]piperazine-1-carboxylate

: 192441-86-4
3-Nitro-4-piperazin-1-yl-benzoic acid methyl ester

Guidance literature:: With hydrogenchloride; In acetonitrile; Yield given;
DOI:10.1016/S0040-4039(97)00831-9

Reference yield:

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

: 192441-86-4
3-Nitro-4-piperazin-1-yl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylsulfoxide / 12 h / 80 °C

2: concd. HCl / acetonitrile

With hydrogenchloride; potassium carbonate; In dimethyl sulfoxide; acetonitrile;
DOI:10.1016/S0040-4039(97)00831-9