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Merck
CN

570907

Benzyl (S,S,S)-2-azabicyclo[3.3.0]octane-3-carboxylate hydrochloride

97%

Synonym(s):

(S,S,S)-2-Azabicyclo-[3,3,0]-octane carboxylic acid benzylester hydrochloride, (S,S,S)-2-Azabicyclo[3,3,0]octane-3-carboxylic acid benzyl ester hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C15H19NO2 ·HCl
CAS Number:
87269-87-2
Molecular Weight:
281.78
MDL number:
MFCD04974076
UNSPSC Code:
12352005
PubChem Substance ID:
24880599

Key Documents

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Assay

97%

optical activity

[α]20/D -26°, c = 1% in DMSO

mp

176-180 °C (lit.)

functional group

ester
phenyl

SMILES string

Cl[H].[H][C@@]12CCC[C@]1([H])N[C@@H](C2)C(=O)OCc3ccccc3

InChI

1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14-;/m0./s1

InChI key

HLXCXOQXUDRJLF-JKBZPBJLSA-N

Application

Benzyl (S,S,S)-2-azabicyclo[3.3.0]octane-3-carboxylate hydrochloride can be used:
  • In the preparation of ramipril, an angiotensin-converting enzyme (ACE) inhibitor.
  • As a starting material for the synthesis of octahydrocyclopenta[b]pyrrole-2-carbonitrile derivatives as potent DPP4 inhibitors.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBG2840V
MKBG8265V
09311LH
08220DE
10003JA

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Xun Ji et al.
European journal of medicinal chemistry, 86, 242-256 (2014-08-29)
Based on the previous work in our group and the principle of computer-aided drug design, a series of novel β-amino pyrrole-2-carbonitrile derivatives was designed and synthesized. Compounds 8l and 9l were efficacious and selective DPP4 inhibitors resulting in decreased blood
Expeditious synthesis of Ramipril: an Angiotensin-converting enzyme (ACE) inhibitor
Malakondaiah GC, et al.
Synthetic Communications, 38(11), 1737-1744 (2008)

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