Cas no 26586-26-5 (3-Nitro-4-(piperidin-1-yl)benzoic acid)
3-Nitro-4-(piperidin-1-yl)benzoic acid is a nitro-substituted benzoic acid derivative featuring a piperidin-1-yl functional group at the 4-position. This compound is of interest in synthetic organic chemistry and pharmaceutical research due to its versatile reactivity, particularly as an intermediate in the synthesis of more complex heterocyclic or pharmacologically active molecules. The nitro group enhances electrophilic properties, facilitating further functionalization, while the piperidine moiety contributes to solubility and potential bioactivity. Its well-defined structure and stability under standard conditions make it suitable for controlled reactions, including reductions or nucleophilic substitutions. The compound is typically characterized by NMR, HPLC, and mass spectrometry for purity verification.
26586-26-5 structure
Product Name:3-Nitro-4-(piperidin-1-yl)benzoic acid
CAS No:26586-26-5
MF:C12H14N2O4
MW:250.250563144684
MDL:MFCD00157001
CID:270323
PubChem ID:2879765
Update Time:2025-06-07
3-Nitro-4-(piperidin-1-yl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Nitro-4-(piperidin-1-yl)benzoic acid
- 3-NITRO-4-PIPERIDIN-1-YLBENZOIC ACID
- Benzoic acid,3-nitro-4-(1-piperidinyl)-
- 3-Nitro-4-piperidin-1-yl-benzoic acid
- 3-Nitro-4-piperidino-benzoesaeure
- 3-nitro-4-piperidino-benzoic acid
- 3-nitro-4-piperidylbenzoic acid
- 4-piperidino-3-nitrobenzoic acid
- AC1MEKHQ
- AC1Q73BU
- N-(2-nitro-4-carboxyphenyl)piperidine
- Oprea1_154378
- ST4061398
- SureCN2775026
- 26586-26-5
- 3-Nitro-4-(1-piperidinyl)benzoic acid
- SCHEMBL2775026
- Cambridge id 5986304
- VS-08053
- Y13582
- 3-nitro-4-(piperidin-1-yl)benzoicacid
- BB 0245695
- DTXSID80387068
- Benzoic acid, 3-nitro-4-(1-piperidinyl)-
- AKOS000109236
- YVODCTHEVCBRCV-UHFFFAOYSA-N
- 3-NITRO-4-PIPERIDIN-1-YLBENZOICACID
- EU-0006869
- FT-0678145
- SR-01000451586-1
- SR-01000451586
- EN300-00039
- Z55982379
- MFCD00157001
- STK174421
- DA-07525
- ALBB-023186
- BBL025688
- 3-nitro-4-(1-piperidyl)benzoic acid
-
- MDL： MFCD00157001
- Inchi： 1S/C12H14N2O4/c15-12(16)9-4-5-10(11(8-9)14(17)18)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)
- InChI Key： YVODCTHEVCBRCV-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C(=O)O)C=CC=1N1CCCCC1)=O
Computed Properties
- Exact Mass: 250.09542
- Monoisotopic Mass: 250.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 323
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 86.4A^2
- XLogP3: 2.2
Experimental Properties
- Density: 1.344
- Melting Point: 201-203
- Boiling Point: 452°Cat760mmHg
- Flash Point: 227.2°C
- Refractive Index: 1.61
- PSA: 83.68
3-Nitro-4-(piperidin-1-yl)benzoic acid Security Information
- Hazard Statement： Irritant
-
Hazardous Material Identification：
- HazardClass：IRRITANT
3-Nitro-4-(piperidin-1-yl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 034020-1g |
3-Nitro-4-piperidin-1-ylbenzoic acid |
26586-26-5 | 95% | 1g |
￡58.00 | 2022-03-01 | |
| Alichem | A129007370-5g |
3-Nitro-4-(piperidin-1-yl)benzoic acid |
26586-26-5 | 95% | 5g |
$732.06 | 2023-09-02 | |
| Chemenu | CM305950-5g |
3-Nitro-4-(piperidin-1-yl)benzoic acid |
26586-26-5 | 95% | 5g |
$698 | 2021-08-18 | |
| Matrix Scientific | 024382-500mg |
3-Nitro-4-piperidin-1-ylbenzoic acid |
26586-26-5 | 500mg |
$132.00 | 2023-09-11 | ||
| TRC | N497358-25mg |
3-Nitro-4-(piperidin-1-yl)benzoic Acid |
26586-26-5 | 25mg |
$ 50.00 | 2022-06-02 | ||
| TRC | N497358-50mg |
3-Nitro-4-(piperidin-1-yl)benzoic Acid |
26586-26-5 | 50mg |
$ 65.00 | 2022-06-02 | ||
| TRC | N497358-250mg |
3-Nitro-4-(piperidin-1-yl)benzoic Acid |
26586-26-5 | 250mg |
$ 95.00 | 2022-06-02 | ||
| Chemenu | CM305950-5g |
3-Nitro-4-(piperidin-1-yl)benzoic acid |
26586-26-5 | 95% | 5g |
$263 | 2022-09-29 | |
| eNovation Chemicals LLC | Y1249018-100mg |
Benzoic acid, 3-nitro-4-(1-piperidinyl)- |
26586-26-5 | 95% | 100mg |
$85 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1249018-250mg |
Benzoic acid, 3-nitro-4-(1-piperidinyl)- |
26586-26-5 | 95% | 250mg |
$115 | 2024-06-07 |
3-Nitro-4-(piperidin-1-yl)benzoic acid Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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