Cas no 4835-39-6 (N-(4-Nitrophenyl)-3-oxo-butanamide)
N-(4-Nitrophenyl)-3-oxo-butanamide Chemical and Physical Properties
Names and Identifiers
-
- N-(4-Nitrophenyl)-3-oxobutanamide
- 4'-Nitroacetoacetanilide
- N-(4-Nitrophenyl)-3-oxobutyramide
- N-(4-NITRO-PHENYL)-3-OXO-BUTYRAMIDE
- Acetoacet-p-nitroanilide(AAPNA)
- N-(4-nitrophenyl)-2-acetylacetamide
- N-(4-nitrophenyl)acetoacetamide
- N-para-nitrophenylacetoacetamide
- p-nitro acetoacetanilide
- KCXJQNDNGLRYBN-UHFFFAOYSA-N
- NSC25193
- N-(4-nitrophenyl)-3-oxo-butyramide
- N-(4-nitrophenyl)-3-oxobutamide
- Acetoacetamide, N-(4-nitrophenyl)-
- STK097825
- SBB006289
- N-(4-Nitrophenyl)-3-oxo-butana
- NSC-25193
- N0990
- NS00031789
- T72513
- SCHEMBL23811
- DTXSID90197493
- AKOS000115176
- N-(4-Nitrophenyl)-3-oxo-butanamide
- SB79628
- Butanamide, N-(4-nitrophenyl)-3-oxo-
- N-(4-Nitrophenyl)-3-oxobutanamide #
- EINECS 225-418-2
- AS-58254
- A827515
- SR-01000514749-1
- NSC 25193
- CS-0307499
- SR-01000514749
- Acetoacet-p-nitroanilide
- MFCD00452522
- EN300-01366
- 4835-39-6
-
- MDL: MFCD00452522
- Inchi: 1S/C10H10N2O4/c1-7(13)6-10(14)11-8-2-4-9(5-3-8)12(15)16/h2-5H,6H2,1H3,(H,11,14)
- InChI Key: KCXJQNDNGLRYBN-UHFFFAOYSA-N
- SMILES: O=C(CC(C)=O)NC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 222.06400
- Monoisotopic Mass: 222.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 290
- 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
- Surface Charge: 0
- Tautomer Count: 8
- XLogP3: 2.1
- Topological Polar Surface Area: 92
Experimental Properties
- Color/Form: NA
- Density: 1.331
- Melting Point: 119.0 to 124.0 deg-C
- Boiling Point: 498.6 °C at 760 mmHg
- Flash Point: 498.6 °C at 760 mmHg
- Refractive Index: 1.601
- PSA: 91.99000
- LogP: 2.10860
- Vapor Pressure: 0.0±1.3 mmHg at 25°C
N-(4-Nitrophenyl)-3-oxo-butanamide Security Information
- Signal Word:warning
- Hazard Statement: H303 may be harmful by ingestion +h313 may be harmful by skin contact +h1106 may be harmful by inhalation
- Warning Statement: P264+P280+P305+P351+P338+P337+P108
- Safety Instruction: H303+H313+H110
- Storage Condition:4° CStore…,-4℃Store…Better
N-(4-Nitrophenyl)-3-oxo-butanamide Customs Data
- HS CODE:2924299090
- Customs Data:
China Customs Code:
2924299090Overview:
2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
N-(4-Nitrophenyl)-3-oxo-butanamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | N0990-200MG |
N-(4-Nitrophenyl)-3-oxobutyramide |
4835-39-6 | >98.0%(T)(HPLC) | 200mg |
¥540.00 | 2023-09-07 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | N0990-1G |
N-(4-Nitrophenyl)-3-oxobutyramide |
4835-39-6 | >98.0%(T)(HPLC) | 1g |
¥2410.00 | 2023-09-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | N0990-1g |
N-(4-Nitrophenyl)-3-oxo-butanamide |
4835-39-6 | 98.0%(LC&T) | 1g |
¥2410.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | N0990-200mg |
N-(4-Nitrophenyl)-3-oxo-butanamide |
4835-39-6 | 98.0%(LC&T) | 200mg |
¥540.0 | 2022-06-10 | |
| TRC | N545400-25mg |
N-(4-Nitrophenyl)-3-oxo-butanamide |
4835-39-6 | 25mg |
$ 50.00 | 2022-06-03 | ||
| TRC | N545400-50mg |
N-(4-Nitrophenyl)-3-oxo-butanamide |
4835-39-6 | 50mg |
$ 65.00 | 2022-06-03 | ||
| TRC | N545400-250mg |
N-(4-Nitrophenyl)-3-oxo-butanamide |
4835-39-6 | 250mg |
$ 80.00 | 2022-06-03 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-279597-1g |
N-(4-Nitro-phenyl)-3-oxo-butyramide, |
4835-39-6 | 1g |
¥1700.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-279597-1 g |
N-(4-Nitro-phenyl)-3-oxo-butyramide, |
4835-39-6 | 1g |
¥1,700.00 | 2023-07-10 | ||
| 1PlusChem | 1P00DE8G-100mg |
4'-nitroacetoacetanilide |
4835-39-6 | 93% | 100mg |
$96.00 | 2023-12-17 |
N-(4-Nitrophenyl)-3-oxo-butanamide Suppliers
N-(4-Nitrophenyl)-3-oxo-butanamide Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Additional information on N-(4-Nitrophenyl)-3-oxo-butanamide
Introduction to N-(4-Nitrophenyl)-3-oxo-butanamide (CAS No. 4835-39-6)
N-(4-Nitrophenyl)-3-oxo-butanamide, identified by its CAS number 4835-39-6, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound has garnered attention due to its unique structural properties and potential applications in various chemical and biological studies. The presence of both a nitro group and an amide functionality makes it a versatile molecule for further derivatization and functionalization, which are crucial steps in drug development.
The molecular structure of N-(4-Nitrophenyl)-3-oxo-butanamide consists of a benzene ring substituted with a nitro group at the 4-position, connected to a butanamide moiety. This arrangement imparts specific electronic and steric properties that can influence its reactivity and interaction with biological targets. The nitro group, in particular, is known for its ability to participate in various chemical reactions, including reduction to an amine or diazotization, while the amide group can serve as a pharmacophore in drug design.
In recent years, there has been a growing interest in exploring the pharmacological potential of nitroaromatic compounds. Studies have shown that nitroaromatics can exhibit a wide range of biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. The compound N-(4-Nitrophenyl)-3-oxo-butanamide is no exception and has been investigated for its possible role in modulating biological pathways.
One of the most intriguing aspects of N-(4-Nitrophenyl)-3-oxo-butanamide is its potential as a precursor in the synthesis of more complex molecules. The nitro group can be selectively reduced to an amine, which can then be further functionalized through various reactions such as coupling with carboxylic acids or aldehydes. This flexibility makes it a valuable intermediate in the synthesis of peptidomimetics and other bioactive molecules.
The amide functionality in N-(4-Nitrophenyl)-3-oxo-butanamide also plays a crucial role in its pharmacological profile. Amides are well-known for their ability to interact with biological targets such as enzymes and receptors, often leading to therapeutic effects. Research has demonstrated that modifications at the amide bond can significantly alter the pharmacokinetic and pharmacodynamic properties of a drug molecule. Therefore, N-(4-Nitrophenyl)-3-oxo-butanamide could serve as a scaffold for developing novel therapeutic agents.
In addition to its synthetic utility, N-(4-Nitrophenyl)-3-oxo-butanamide has been studied for its potential role in chemical biology research. The compound's ability to interact with biological systems makes it a useful tool for investigating enzyme mechanisms and metabolic pathways. For instance, it can be used as an inhibitor or substrate in enzymatic reactions, providing insights into the function of key enzymes involved in disease pathways.
The latest advancements in computational chemistry have also highlighted the importance of N-(4-Nitrophenyl)-3-oxo-butanamide4-Nitrophenyl-)< strong >3-oxo-butanamide make it an attractive candidate for identifying new drug candidates through computational methods.
In conclusion, N-(
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