Ethyl 2-[trans-4-[(tert-Butoxycarbonyl)amino]cyclohexyl]acetate, 98%

Name: Ethyl 2-[trans-4-[(tert-Butoxycarbonyl)amino]cyclohexyl]acetate, 98%
SKU: ACM946598341
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Catalog NumberACM946598341

CAS Number946598-34-1

CategoryOther Glass and Ceramic Materials

Ethyl 2-[trans-4-[(tert-Butoxycarbonyl)amino]cyclohexyl]acetate, 98%

IUPAC Name

ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate

Molecular Weight

285.38g/mol

Molecular Formula

C15H27NO4

Canonical SMILES

CCOC(=O)CC1CCC(CC1)NC(=O)OC(C)(C)C

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)

InChI Key

GKBUJPUBSPCDGF-UHFFFAOYSA-N

Application

Ethyl 2-[trans-4-[(tert-Butoxycarbonyl)amino]cyclohexyl]acetate, 98%, serves as an intermediate in the synthesis of Desmethyl Cariprazine Hydrochloride, a derivative of Cariprazine. Cariprazine itself is an orally active antipsychotic drug under investigation for its potential in treating conditions such as schizophrenia, bipolar mania, and depression.

Complexity

327

Covalently-Bonded Unit Count

Exact Mass

285.194008g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

285.194008g/mol

Rotatable Bond Count

XLogP3

2.6