ChemicalBook--->CAS DataBase List--->65050-07-9

65050-07-9

65050-07-9 Structure

65050-07-9 Structure
IdentificationBack Directory
[Name]

(S)-3-TERT-BUTYL-2,5-PIPERAZINEDIONE
[CAS]

65050-07-9
[Synonyms]

(S)-3-TERT-BUTYL-2,5-PIPERAZINEDIONE
(3S)-3-tert-Butylpiperazine-2,5-dione
(S)-3-tert-Butyl-2,5-piperazinedione,95%
[Molecular Formula]

C8H14N2O2
[MDL Number]

MFCD00077675
[MOL File]

65050-07-9.mol
[Molecular Weight]

170.21
Chemical PropertiesBack Directory
[Appearance]

Off-white to light brown crystalline powder
[Melting point ]

300 °C
[Boiling point ]

299.85°C (rough estimate)
[density ]

1.1442 (rough estimate)
[refractive index ]

1.4200 (estimate)
[storage temp. ]

2-8°C
[pka]

13.22±0.40(Predicted)
[Optical Rotation]

[α]20/D +78±1°, c = 1% in acetic acid
[BRN ]

4396135
[InChI]

1S/C8H14N2O2/c1-8(2,3)6-7(12)9-4-5(11)10-6/h6H,4H2,1-3H3,(H,9,12)(H,10,11)/t6-/m1/s1
[InChIKey]

OWQNUQNZSDAFHT-ZCFIWIBFSA-N
[SMILES]

CC(C)(C)[C@@H]1NC(=O)CNC1=O
Hazard InformationBack Directory
[Chemical Properties]

Off-white to light brown crystalline powder
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[F ]

8-10-21
[HS Code ]

29335995
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Tetrahydrofuran-->Chloroform-->Triethylamine-->Xylene-->Triphosgene-->Glycine methyl ester hydrochloride-->L-tert-Leucine
[Preparation Products]

methyl (2S)-2-amino-3,3-dimethylbutanoate
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