(4-Nitrophenyl)methyl 3-oxobutanoate

Product Name: (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
Formula Weight: 237.21
MOL File: 61312-84-3.mol

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(4-Nitrophenyl)methyl 3-oxobutanoate Property

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)

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Safety

HS Code: 2918.30.3000

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TCI Chemical

Product number: N0875
Product name: 4-Nitrobenzyl Acetoacetate
Purity: >98.0%(HPLC)
Packaging: 5g
Price: $20
Updated: 2025/07/31

TCI Chemical

Product number: N0875
Product name: 4-Nitrobenzyl Acetoacetate
Purity: >98.0%(HPLC)
Packaging: 25g
Price: $67
Updated: 2025/07/31

TRC

Product number: N495430
Product name: 4-Nitrobenzyl Acetoacetate
Packaging: 25g
Price: $85
Updated: 2021/12/16

AK Scientific

Product number: O365
Product name: 4-Nitrobenzyl Acetoacetate
Packaging: 25g
Price: $18
Updated: 2021/12/16

AK Scientific

Product number: O365
Product name: 4-Nitrobenzyl Acetoacetate
Packaging: 100g
Price: $45
Updated: 2021/12/16

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(4-Nitrophenyl)methyl 3-oxobutanoate Chemical Properties,Usage,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

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(4-Nitrophenyl)methyl 3-oxobutanoate Suppliers

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View Lastest Price from (4-Nitrophenyl)methyl 3-oxobutanoate manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: 4-Nitrobenzyl 3-oxobutanoate 61312-84-3
Price: US $0.10-10.00/KG
Min. Order: 0.10000000149011612KG
Purity: 98%
Supply Ability: 200TONS
Release date: 2025-08-15

Shaanxi Dideu Medichem Co. Ltd

Product: (4-Nitrophenyl)methyl 3-oxobutanoate 61312-84-3
Price: US $130.00-240.00/g
Min. Order: 1g
Purity: 99.2%
Supply Ability: 20tons
Release date: 2025-08-15

Xinxiang Hongqi District Houyuan Trading Co.,Ltd

Product: (4-Nitrophenyl)methyl 3-oxobutanoate 61312-84-3
Price: US $0.00/kg
Min. Order: 1kg
Purity: 99.0% up
Supply Ability: 50 tons per month
Release date: 2023-09-12

61312-84-3, (4-Nitrophenyl)methyl 3-oxobutanoateRelated Search:

Methyl acrylate METHYL THIOPHENE-2-CARBOXYLATE Methylparaben 4-Nitrobenzyl chloride Benzyl acetate Acetoacetic Acid Benzyl nicotinate Benzyl formate Benzyl 2-chloroacetate Benzyl benzoate Benzyl chloroformate Acetaminophen BENZYL PHENYLACETATE Methyl acetate 4'-Nitroacetanilide Kresoxim-methyl 4-Nitrobenzoic acid Benzyl Acetoacetate

P-NITRO BENZYL ACETOACETATE

PARA NITRO BENZYL ACETOACETATE

4-NITROBENZYL ACETOACETATE

(4-nitrophenyl)methyl 3-oxobutanoate

4-Nitrobenzyl acetoacetate (30% in toluene)

Acetoacetic acid, p-nitrobenzyl ester (30% in toluene)

p-Nitrobenzylacetoacetate Solution (30%)

Acetoacetic Acid 4-Nitrobenzyl Ester

4-Nitrobenzyl 3-oxobutanoate

3-Oxo-butanoic acid (4-nitrophenyl)methyl ester

PNBATAT

4-NitrobenzylAcetoacetate&gt

Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester

Acetoacetic acid p-nitrobenzyl ester

(4-NITROPHENYL)METHYL 3-OXOBUTANOATE (CAS NO.61312-84-3)

Acetoacetic acid p-nitrobenzyl ester (intermediate of imipenem)

61312-84-3

C12H13NO4