(4-Nitrophenyl)methyl 3-oxobutanoate
- CAS No.
- 61312-84-3
- Chemical Name:
- (4-Nitrophenyl)methyl 3-oxobutanoate
- Synonyms
- PNBATAT;4-NITROBENZYL ACETOACETATE;P-NITRO BENZYL ACETOACETATE;4-Nitrobenzyl 3-oxobutanoate;4-NitrobenzylAcetoacetate>PARA NITRO BENZYL ACETOACETATE;(4-nitrophenyl)methyl 3-oxobutanoate;Acetoacetic Acid 4-Nitrobenzyl Ester;Acetoacetic acid p-nitrobenzyl ester;p-Nitrobenzylacetoacetate Solution (30%)
- CBNumber:
- CB7686261
- Molecular Formula:
- C11H11NO5
- Molecular Weight:
- 237.21
- MDL Number:
- MFCD00799237
- MOL File:
- 61312-84-3.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 4-Nitrobenzyl Acetoacetate >98.0%(HPLC) | N0875 | 5g | $20 |
| 4-Nitrobenzyl Acetoacetate >98.0%(HPLC) | N0875 | 25g | $67 |
| 4-Nitrobenzyl Acetoacetate | N495430 | 25g | $85 |
| 4-Nitrobenzyl Acetoacetate | O365 | 100g | $45 |
| 4-Nitrobenzyl Acetoacetate | O365 | 25g | $18 |
| More product size | |||
| Melting point | 45 °C |
|---|---|
| Boiling point | 376.5±22.0 °C(Predicted) |
| Density | 1.287±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 10.08±0.46(Predicted) |
| color | Off-White |
| λmax | 267nm(CH2Cl2)(lit.) |
| InChI | InChI=1S/C11H11NO5/c1-8(13)6-11(14)17-7-9-2-4-10(5-3-9)12(15)16/h2-5H,6-7H2,1H3 |
| InChIKey | KQPGVCMZXFBYMM-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC=C([N+]([O-])=O)C=C1)(=O)CC(=O)C |
| CAS DataBase Reference | 61312-84-3(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
| HS Code | 2918.30.3000 |
(4-Nitrophenyl)methyl 3-oxobutanoate price More Price(11)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | N0875 | 4-Nitrobenzyl Acetoacetate >98.0%(HPLC) | 61312-84-3 | 5g | $20 | 2025-07-31 | Buy |
| TCI Chemical | N0875 | 4-Nitrobenzyl Acetoacetate >98.0%(HPLC) | 61312-84-3 | 25g | $67 | 2025-07-31 | Buy |
| TRC | N495430 | 4-Nitrobenzyl Acetoacetate | 61312-84-3 | 25g | $85 | 2021-12-16 | Buy |
| AK Scientific | O365 | 4-Nitrobenzyl Acetoacetate | 61312-84-3 | 100g | $45 | 2021-12-16 | Buy |
| AK Scientific | O365 | 4-Nitrobenzyl Acetoacetate | 61312-84-3 | 25g | $18 | 2021-12-16 | Buy |
(4-Nitrophenyl)methyl 3-oxobutanoate Chemical Properties,Uses,Production
Chemical Properties
White to Light yellow powder to crystal
Uses
4-Nitrobenzyl Acetoacetate acts as a reagent in the preparation of panipenem via esterification of nitrobenzyl alcohol followed by substitution, cyclizations and hydrogenation. Panipenem I is a new carbapenem antibiotic for the treatment of inflammation.
Synthesis
674-82-8
619-73-8
61312-84-3
GENERAL STEPS: 4-Nitrobenzyl alcohol (1.53 g, 10 mmol) was placed in a round bottom flask and dichloromethane (10 mL) was added. Bis(vinylidene) ketone (1.26 g, 15 mmol) was slowly added followed by triethylamine (0.14 mL, 1 mmol) under cooling in an ice bath. The reaction mixture was warmed up to room temperature with continuous stirring for 3 hours. Upon completion of the reaction, it was quenched by the addition of water (10 mL). The organic layer was separated, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to afford 4-nitrobenzyl acetoacetate (2.30 g, 97% yield). Referring to the method of Example 1, the resulting 4-nitrobenzyl acetoacetate was further reacted to produce ethyl p-nitrobenzyl acetoacetate (2.09 g, 68% yield). The structure of the product was confirmed by 1H NMR (CDCl3) and mass spectrum: 1H NMR (CDCl3) δ 8.25 (d, 2H), 7.53 (s, 1H), 7.51 (d, 2H), 6.57 (s, 1H), 5.27 (s, 2H), 4.21 (s, 2H), 2.54 (s, 3H); MS (M+1): 308.
References
[1] Patent: WO2004/111013, 2004, A1. Location in patent: Page 39-40
(4-Nitrophenyl)methyl 3-oxobutanoate Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Xinxiang Hongqi District Houyuan Trading Co.,Ltd | +86-0373-3695376 +86-13937349994 | HYJM@houyuanjm.com | China | 299 | 58 |
| Shaanxi Dideu Medichem Co. Ltd | +86-29-87569262 +86-15003564040 | 1056@dideu.com | China | 3982 | 58 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29831 | 58 |
| Xiamen AmoyChem Co., Ltd | +86-86-5926051114 +8615060885618 | sales@amoychem.com | China | 6369 | 58 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63687 | 58 |
| Wuhan Chemwish Technology Co., Ltd | 027-67849912 | sales@chemwish.com | CHINA | 10821 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49977 | 58 |
| SIMAGCHEM CORP | +86-5922680277 +86-13806087780 | sale@simagchem.com | China | 17346 | 58 |
| Longyan Tianhua Biological Technology Co., Ltd | 0086 18039857276 18039857276 | CHINA | 2783 | 58 | |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418671 +8618949823763 | sales@tnjchem.com | China | 34563 | 58 |
View Lastest Price from (4-Nitrophenyl)methyl 3-oxobutanoate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-02-02 | (4-Nitrophenyl)methyl 3-oxobutanoate
61312-84-3
|
US $130.00-240.00 / g | 1g | 99.2% | 20tons | Shaanxi Dideu Medichem Co. Ltd | |
 |
2026-02-02 | 4-Nitrobenzyl 3-oxobutanoate
61312-84-3
|
US $0.10-10.00 / KG | 0.10000000149011612KG | 98% | 200TONS | Shaanxi Dideu Medichem Co. Ltd | |
 |
2023-09-12 | (4-Nitrophenyl)methyl 3-oxobutanoate
61312-84-3
|
US $0.00 / kg | 1kg | 99.0% up | 50 tons per month | Xinxiang Hongqi District Houyuan Trading Co.,Ltd |
-
- (4-Nitrophenyl)methyl 3-oxobutanoate
61312-84-3
- US $130.00-240.00 / g
- 99.2%
- Shaanxi Dideu Medichem Co. Ltd
-
- 4-Nitrobenzyl 3-oxobutanoate
61312-84-3
- US $0.10-10.00 / KG
- 98%
- Shaanxi Dideu Medichem Co. Ltd
-
- (4-Nitrophenyl)methyl 3-oxobutanoate
61312-84-3
- US $0.00 / kg
- 99.0% up
- Xinxiang Hongqi District Houyuan Trading Co.,Ltd
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