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1068522-17-7

1068522-17-7 Structure

1068522-17-7 Structure
IdentificationBack Directory
[Name]

Trans-1-(Tert-Butoxycarbonyl)-3-Phenylpiperidine-4-Carboxylic Acid
[CAS]

1068522-17-7
[Synonyms]

Trans-1-(Tert-Butoxycarbonyl)-3-Phenylpiperidine-4-Carboxylic Acid
rel-(3R,4R)-1-(tert-Butoxycarbonyl)-3-phenylpiperidine-4-carboxylic acid
Trans-1-(Tert-Butoxycarbonyl)-3-Phenylpiperidine-4-Carboxylic Acid(WX160049)
1,4-Piperidinedicarboxylic acid, 3-phenyl-, 1-(1,1-dimethylethyl) ester, (3R,4R)-
1,4-Piperidinedicarboxylic acid, 3-phenyl-, 1-(1,1-dimethylethyl) ester, (3R,4R)-rel-
[Molecular Formula]

C17H23NO4
[MDL Number]

MFCD22209594
[MOL File]

1068522-17-7.mol
[Molecular Weight]

305.37
Chemical PropertiesBack Directory
[Boiling point ]

454.9±45.0 °C(Predicted)
[density ]

1.169±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

solid
[pka]

4.41±0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-9-13(15(19)20)14(11-18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14+/m1/s1
[InChIKey]

KHCTXOGRWQLHBK-KGLIPLIRSA-N
[SMILES]

O=C(O)[C@H]1[C@H](C2=CC=CC=C2)CN(C(OC(C)(C)C)=O)CC1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

trans-1-(tert-Butoxycarbonyl)-3-phenylpiperidine-4-carboxylic Acid is used as a reactant in the preparation of novel serine palmitoyltransferase inhibitors as cancer therapeutic agents.
Spectrum DetailBack Directory
[Spectrum Detail]

Trans-1-(Tert-Butoxycarbonyl)-3-Phenylpiperidine-4-Carboxylic Acid(1068522-17-7)1HNMR
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