4-Nitrobenzyl 2-diazo-3-oxobutanoate

Basic Information

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CAS Number

82551-63-1

Molecular Formula

C11H9N3O5

Molecular Weight

263.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(=O)C(=[N+]=[N-])C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O5/c1-7(15)10(13-12)11(16)19-6-8-2-4-9(5-3-8)14(17)18/h2-5H,6H2,1H3

InChIKey

HEKGSEIAAGMGPL-UHFFFAOYSA-N

LogP

0.12146

Complexity

428

Synonyms & References

English

AC-5315
AS-75473
SCHEMBL2940773
4-Nitrobenzyl2-diazoacetoacetate
Q-101438
4-Nitrobenzyl 2-diazoacetoacetate
HEKGSEIAAGMGPL-UHFFFAOYSA-N
p-nitrobenzyl alpha-diazoacetoacetate
F16802
4-Nitrobenzyl 2-diazo-3-oxo-butanoate
4-nitrobenzyl 2-diazo-3-oxobutanoate
82551-63-1
A840369
(4-NITROPHENYL)METHYL 2-DIAZO-3-OXOBUTANOATE
AKOS015833332
Butanoic acid, 2-diazo-3-oxo-, (4-nitrophenyl)methyl ester
p-Nitrobenzyl 2-diazoacetoacetate
4-Nitrobenzyl-2-diazoacetoacetate
4-Nitrobenzyl 2-diazo-3-oxobutanoate

MDL Number

MFCD11977231

FAQ

What is 4-Nitrobenzyl 2-diazo-3-oxobutanoate (CAS: 82551-63-1)?

4-Nitrobenzyl 2-diazo-3-oxobutanoate (CAS: 82551-63-1) is an organic compound characterized by a nitro group and a diazo group attached to a benzyl ring. Its chemical formula is C10H9N3O3, and it is typically a white solid with high reactivity due to the diazo functionality. This compound is commonly used as an intermediate in synthetic chemistry for complex molecule development.

What are the main uses of 4-Nitrobenzyl 2-diazo-3-oxobutanoate (CAS: 82551-63-1)?

4-Nitrobenzyl 2-diazo-3-oxobutanoate (CAS: 82551-63-1) is primarily utilized in pharmaceutical research for synthesizing bioactive compounds. It also serves as a key reagent in organic chemistry for creating derivatives with functional groups. Additionally, it finds applications in industrial processes involving diazo reactions and in the development of specialized chemical materials.

Is 4-Nitrobenzyl 2-diazo-3-oxobutanoate (CAS: 82551-63-1) safe?

4-Nitrobenzyl 2-diazo-3-oxobutanoate (CAS: 82551-63-1) requires careful handling due to its potential toxicity. Prolonged exposure may cause skin or respiratory irritation. Safety measures include using appropriate PPE, working in a well-ventilated area, and adhering to OSHA guidelines. It is classified as a hazardous chemical and should be stored and handled under controlled conditions to minimize risks.

How should 4-Nitrobenzyl 2-diazo-3-oxobutanoate (CAS: 82551-63-1) be stored?

4-Nitrobenzyl 2-diazo-3-oxobutanoate (CAS: 82551-63-1) should be stored in a cool, dry place at 2-8°C, away from light and moisture. It is best kept in a sealed, airtight container made of dark glass or inert material to maintain stability. Avoid exposure to air and heat to prevent decomposition or unwanted reactions.