ChemicalBook--->CAS DataBase List--->4629-80-5

4629-80-5

4629-80-5 Structure

4629-80-5 Structure
IdentificationMore
[Name]

1,3-Dimethylpiperidin-4-one
[CAS]

4629-80-5
[Synonyms]

1,3-DIMETHYL-4-PIPERIDINONE
1,3-DIMETHYL-4-PIPERIDONE
1,3-DIMETHYL-PIPERIDIN-4-ONE
AKOS BC-0316
N-Methyl-3-methyl-4-piperidoNe
[EINECS(EC#)]

225-046-0
[Molecular Formula]

C7H13NO
[MDL Number]

MFCD00100893
[Molecular Weight]

127.18
[MOL File]

4629-80-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

62°C/12mmHg(lit.)
[density ]

0.950
[refractive index ]

1.4580
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

8.06±0.40(Predicted)
[color ]

Clear Light Yellow
[InChI]

InChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3
[InChIKey]

BGDGMIWDPMJYPP-UHFFFAOYSA-N
[SMILES]

N1(C)CCC(=O)C(C)C1
[CAS DataBase Reference]

4629-80-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

37/38-41-43
[Safety Statements ]

26-36/37-39
[HS Code ]

2933399990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methyl acrylate-->Methyl isobutyrate
[Preparation Products]

(+)-(3R,4S)-3,4-DIMETHYL-4-(3-HYDROXYPHENYL)PIPERIDINE
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

1,3-Dimethylpiperidin-4-one is a key intermediate used in the preparation of Alvimopan, an Opiod drug.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Dimethylpiperidin-4-one(4629-80-5)1HNMR
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