| Identification | More | [Name]
5-Oxohexanoate | [CAS]
3128-06-1 | [Synonyms]
4-ACETYLBUTYRIC ACID
5-KETOHEXANOIC ACID
5-Oxohexanoate
5-OXOHEXANOIC ACID
RARECHEM AL BO 0242
5-Ketocaproic acid
5-oxo-hexanoicaci
delta-Ketocaproic acid
delta-Oxocaproic acid
gamma-Acetylbutyric acid
Hexanoic acid, 5-oxo-
5-Ketohexanoic acid~5-Oxohexanoic acid
Ketohexanoicacid
γ-Acetylbutyric acid | [EINECS(EC#)]
221-511-7 | [Molecular Formula]
C6H9O3- | [MDL Number]
MFCD00004412 | [Molecular Weight]
129.13 | [MOL File]
3128-06-1.mol |
| Safety Data | Back Directory | [Risk Statements ]
R36/38:Irritating to eyes and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29183000 |
| Hazard Information | Back Directory | [Chemical Properties]
Liquid | [Uses]
4-Acetylbutyric acid may be used in the preparation of the following compounds:
- 5-hydroxyhexanoic acid
- 6-methyl1-3,4-dihydro-pyran-2-one, precursor for 5-acetyl-tetrahydro-2-(3H)-furanone
- substituted N-aminolactams
- (±)-5-methyl-δ-valerolactone
| [Uses]
4-Acetylbutyric acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. It is also used to prepare PARP inhibitors for the treatment of cancer. | [Definition]
ChEBI: A medium-chain fatty acid comprising hexanoic acid carrying a 5-oxo group. | [Synthesis Reference(s)]
Synthetic Communications, 10, p. 205, 1980 DOI: 10.1080/00397918008064223
Tetrahedron, 41, p. 2163, 1985 DOI: 10.1016/S0040-4020(01)96588-3 |
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