2-nitro-5-piperazin-1-yl-benzoic Acid

Base Information

Chemical Name:2-nitro-5-piperazin-1-yl-benzoic Acid
CAS No.:183622-35-7
Molecular Formula:C11H13 N3 O4
Molecular Weight:251.24
Hs Code.:2933599090
DSSTox Substance ID:DTXSID20441810
Mol file:183622-35-7.mol

Synonyms:183622-35-7;2-nitro-5-piperazin-1-yl-benzoic Acid;2-nitro-5-(piperazin-1-yl)benzoic acid;Benzoic acid, 2-nitro-5-(1-piperazinyl)-;2-nitro-5-piperazin-1-ylbenzoic acid;F2147-0703;SCHEMBL1414539;DTXSID20441810;BTBYYNWGQJULDK-UHFFFAOYSA-N;AKOS004123510;AS-64581;FT-0701645;2-NITRO-5-PIPERAZIN-1-YL-BENZOICACID

Suppliers and Price of 2-nitro-5-piperazin-1-yl-benzoic Acid

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

American Custom Chemicals Corporation
2-NITRO-5-PIPERAZIN-1-YL-BENZOIC ACID 95.00%
5G
$ 1206.69

Alichem
2-Nitro-5-Piperazin-1-yl-benzoicacid
5g
$ 574.98

AK Scientific
2-nitro-5-piperazin-4-ium-1-ylbenzoate
5g
$ 622.40

Total 3 raw suppliers

Chemical Property of 2-nitro-5-piperazin-1-yl-benzoic Acid

Chemical Property:

Boiling Point:521.1±50.0 °C(Predicted)
PKA:2.30±0.25(Predicted)
PSA：98.39000
Density:1.379±0.06 g/cm3(Predicted)
LogP:1.61960
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:251.09060590
Heavy Atom Count:18
Complexity:325

Purity/Quality:

≥99% ^*data from raw suppliers

2-NITRO-5-PIPERAZIN-1-YL-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Technology Process of 2-nitro-5-piperazin-1-yl-benzoic Acid

There total 1 articles about 2-nitro-5-piperazin-1-yl-benzoic 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:

: 110-85-0
piperazine

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

: 183622-35-7
2-nitro-5-piperazin-1-ylbenzoic acid

Guidance literature:: In neat (no solvent); at 110 ℃; for 2h;
DOI:10.1021/jm9604787

Reference yield:

: 28920-43-6
(fluorenylmethoxy)carbonyl chloride

: 183622-35-7
2-nitro-5-piperazin-1-ylbenzoic acid

: 5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-2-nitrobenzoic acid

Guidance literature:: With sodium hydrogencarbonate; In 1,4-dioxane; water; at 0 - 20 ℃; for 20h;

Reference yield:

: 183622-35-7
2-nitro-5-piperazin-1-ylbenzoic acid

: 183622-38-0
4-[4-Amino-3-(ethoxycarbonylmethyl-carbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: aq. NaOH / dioxane / 16 h

2: 3.1 g / HOBT, NMM, EDC / dimethylformamide / 16 h

3: H₂ / 10percent Pd/C / ethanol / 3 h

With 4-methyl-morpholine; sodium hydroxide; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In 1,4-dioxane; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm9604787