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847417-37-2

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847417-37-2 Structure

847417-37-2 Structure
IdentificationBack Directory
[Name]

cis-4-(Boc-aMino)cyclohexaneacetaldehyde, 97%
[CAS]

847417-37-2
[Synonyms]

2-[cis-4-(Boc-amino)cyclohexyl]acetaldehyde
cis-4-(Boc-aMino)cyclohexaneacetaldehyde, 97%
CIS-TERT-BUTYL (4-(2-OXOETHYL)CYCLOHEXYL)CARBAMATE
tert-butyl N-[cis-4-(2-oxoethyl)cyclohexyl]carbamate
Carbamic acid, N-[cis-4-(2-oxoethyl)cyclohexyl]-, 1,1-dimethylethyl ester
[Molecular Formula]

C13H23NO3
[MDL Number]

MFCD03844591
[MOL File]

847417-37-2.mol
[Molecular Weight]

241.327
Chemical PropertiesBack Directory
[Boiling point ]

360.6±11.0 °C(Predicted)
[density ]

1.02±0.1 g/cm3(Predicted)
[pka]

12.50±0.40(Predicted)
[InChI]

InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h9-11H,4-8H2,1-3H3,(H,14,16)/t10-,11+
[InChIKey]

OPGBSEXLSWYFOR-PHIMTYICSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Fmoc-cis-1,4-aminocyclohexyl acetic acid-->Methyl cis-4-(Boc-aMino)cyclohexanecarboxylate
Hazard InformationBack Directory
[Description]

cis-4-(Boc-aMino)cyclohexaneacetaldehyde is an intermediate for the synthesis of cariprazine, a novel antipsychotic acting on dopamine D3/D2 receptors.
Spectrum DetailBack Directory
[Spectrum Detail]

cis-4-(Boc-aMino)cyclohexaneacetaldehyde(847417-37-2)1HNMR
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