ChemicalBook--->CAS DataBase List--->946598-34-1

946598-34-1

946598-34-1 Structure

946598-34-1 Structure
IdentificationBack Directory
[Name]

Ethyl trans-2-[4-(Boc-aMino)cyclohexyl]acetate
[CAS]

946598-34-1
[Synonyms]

ethyl (trans-4-Boc-aminocyclohexyl)acetate
Ethyl trans-2-[4-(Boc-aMino)cyclohexyl]acetate
Ethyl 2-[trans-4-(Boc-amino)cyclohexyl]acetate
2-[trans-4-(Boc-amino)cyclohexyl]acetic Acid Ethyl Ester
Ethyl 2-(trans-4-((tert-butoxycarbonyl)amino)cyclohexyl)acetate
TRANS-ETHYL 2-(4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXYL)ACETATE
Ethyl 2-((1R,4R)-4-((tert-Butoxycarbonyl)amino)cyclohexyl)acetate
Ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
trans 2-{1-[4-(N-(tert-butoxycarbonyl))amino]cyclohexyl}ethyl acetate
2-[trans-4-[(tert-Butoxycarbonyl)amino]cyclohexyl]acetic Acid Ethyl Ester
Cyclohexaneacetic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-, ethyl ester, trans-
[Molecular Formula]

C15H27NO4
[MOL File]

946598-34-1.mol
[Molecular Weight]

285.379
Chemical PropertiesBack Directory
[Melting point ]

75 °C
[Boiling point ]

378.0±11.0 °C(Predicted)
[density ]

1.04±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

12.50±0.40(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C15H27NO4/c1-5-19-13(17)10-11-6-8-12(9-7-11)16-14(18)20-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,18)/t11-,12-
[InChIKey]

GKBUJPUBSPCDGF-HAQNSBGRSA-N
[SMILES]

[C@@H]1(CC(OCC)=O)CC[C@@H](NC(OC(C)(C)C)=O)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362
[HS Code ]

2924297099
Hazard InformationBack Directory
[Uses]

Ethyl 2-((1R,4R)-4-((tert-Butoxycarbonyl)amino)cyclohexyl)acetate is an intermediate for the synthesis of Desmethyl Cariprazine Hydrochloride (D291365), a derivative of Cariprazine (C183490) which is an orally active D2/D3 dopamine receptor antagonist (1,2,3). Cariprazine is an antipsychotic drug candidate for the potential treatment of schizophrenia, bipolar mania and depression.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl trans-2-[4-(Boc-aMino)cyclohexyl]acetate(946598-34-1)1HNMR
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