ChemicalBook--->CAS DataBase List--->438049-91-3

438049-91-3

438049-91-3 Structure

438049-91-3 Structure
IdentificationBack Directory
[Name]

1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-
[CAS]

438049-91-3
[Synonyms]

(3R,5R)-1-Boc-3,5-diMethylpiperazine
tert-Butyl (3R,5R)-3,5-diMethylpiperazine-1-carboxylate
(3R,5R)-tert-Butyl 3,5-diMethylpiperazine-1-carboxylate
(3R,5R)-3,5-Dimethyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester
1-Piperazinecarboxylic acid, 3,5-diMethyl-, 1,1-diMethylethyl ester, (3R,5R)-
[Molecular Formula]

C11H22N2O2
[MDL Number]

MFCD08686695
[MOL File]

438049-91-3.mol
[Molecular Weight]

214.305
Chemical PropertiesBack Directory
[Boiling point ]

279.7±15.0 °C(Predicted)
[density ]

0.970±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

8.58±0.60(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9-/m1/s1
[InChIKey]

NUZXPHIQZUYMOR-RKDXNWHRSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)C[C@@H](C)N[C@H](C)C1
[CAS DataBase Reference]

438049-91-3
Hazard InformationBack Directory
[Uses]

(3R,5R)-3,5-Dimethyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester is used in the preparation of 5HT3 modulators and used in the treatment of CINV and IBS-D. It is also used in the preparation o f 5-HT2 receptors.
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Spectrum DetailBack Directory
[Spectrum Detail]

(3R,5R)-1-Boc-3,5-diMethylpiperazine(438049-91-3)1HNMR
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