tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

Basic Information

View in Editor

CAS Number

325486-45-1

Molecular Formula

C10H15NO3

Molecular Weight

197.23 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 Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

53-54 ºC

Boiling Point

286.3±33.0 ºC (760 Torr),

Flash Point

126.9±25.4 ºC,

SMILES

View in Editor

CC(C)(C)OC(=O)N1CCC(=O)C=C1

InChI

InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4,6H,5,7H2,1-3H3

InChIKey

HUBLTIMZFCYNES-UHFFFAOYSA-N

LogP

1.71

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

276

Synonyms & References

English

tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
4-Oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
4‐OXO‐3,4‐DIHYDRO‐2H‐PYRIDINE‐1‐CARBOXYLIC ACID TERT‐BUTYL ESTER
1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydropyridin-4-one
1-t-butoxycarbonyl-2,3-dehydro-4-piperidone
AG-F-08858
ANW-74183
CTK4G8865
SureCN2600437
tert-butyl 4-oxo-2,3-dihydropyridine-1-carboxylate
MB06128
CS-0138540
AKOS006289859
tert-Butyl4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
BS-16520
A875588
4-Oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester, AldrichCPR
EN300-729578
DA-17828
4-Oxo-3,4-dihydro-2H-?pyridine-?1-?carboxylic acid tert-butyl ester
TERT-BUTYL 4-OXO-1,2,3,4-TETRAHYDROPYRIDINE-1-CARBOXYLATE
325486-45-1
4-Oxo-3,4-dihydro-2H-pyridine-1-carboxylicacid tert-butyl ester
MFCD08437478
J-515905
1-Boc-2,3-dihydropyridin-4(1H)-one
SY271470
1-Boc-4-oxo-2,3-dihydropyridine
DTXSID30626191
P17429
HUBLTIMZFCYNES-UHFFFAOYSA-N

MDL Number

MFCD08437478

FAQ

What are the physical and chemical properties of tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate (CAS: 325486-45-1)?

tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate is a white crystalline solid with a molecular weight of 239.35 g/mol. It dissolves well in organic solvents such as methanol and ethanol. This compound is known for its low reactivity, making it suitable for various organic reactions. It is stable under normal storage conditions but should be kept away from strong acids and bases.

How is tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate (CAS: 325486-45-1) typically synthesized?

tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate is often synthesized via a multistep process involving the synthesis of 4-hydroxypyridine, followed by esterification with tert-butanol. The reaction is catalyzed by a mild acid and proceeds with good yield and selectivity. This method allows for the controlled production of the compound in a laboratory setting.

What industries use tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate (CAS: 325486-45-1)?

tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate has applications in the pharmaceutical industry, where it can serve as an intermediate in the synthesis of medicinal compounds. It is also utilized in the polymer industry for its ability to improve the properties of polymers. Additionally, it finds use in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate (CAS: 325486-45-1)?

When handling tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or fume hood to minimize exposure. In case of a spill, immediately clean it up using appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for proper disposal. Store the compound in a cool, dry place away from strong acids and bases.