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| | (1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride Basic information | | Synthesis |
| Product Name: | (1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride | | Synonyms: | (1S,3S,5S)-2-azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride;(1S, 3S, 5S)-2-Azabicyclo[3,3,0]Octane-3-Carborylic Acid Benzyl Ester hydrochlor;(S,S,S)-2-AZABICYCLO (3,3,0) OCTANE CAR&;(3S)–BENZYL CIS ENDO–2–AZABICYCLO [3.3.0] –OCTANE–3–CARBOXYLATE HYDROCHLORIDE;(3S)-BENZYL ENDO CIS-2-AZABICYCLO (3,3,0)-OCTANE HYDROCHLORIDE;BENZYL (S,S,S)-2-AZABICYCLO[3.3.0]OCTANE-3-CARBOXYLATE HYDROCHLORIDE;ENDO, CIS-2-AZABICYCLO [3.3.0] OCTANE-3-CARBOXYLIC ACID BENZYL ESTER HYDROCHLORIDE;CIS,ENDO-2-AZABICYCLO[3,3,0]OCTANE-3-CARBOXYLIC ACID BENZYL ESTER HYDROCHLORIDE | | CAS: | 87269-87-2 | | MF: | C15H20ClNO2 | | MW: | 281.78 | | EINECS: | 617-991-6 | | Product Categories: | Aromatics;Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals;Pharmaceutical Intermediates | | Mol File: | 87269-87-2.mol | ![(1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride Structure](CAS/GIF/87269-87-2.gif) |
| | (1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride Chemical Properties |
| Melting point | 176-180 °C(lit.) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | DMSO (Sparingly, Heated), Methanol (Slightly), Water (Slightly) | | form | Solid | | color | White to Off-White | | Optical Rotation | [α]20/D -26°, c = 1% in DMSO | | Stability: | Hygroscopic | | 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 | | InChIKey | HLXCXOQXUDRJLF-JKBZPBJLSA-N | | SMILES | Cl[H].[H][C@@]12CCC[C@]1([H])N[C@@H](C2)C(=O)OCc3ccccc3 |
| Safety Statements | 22-24/25 | | WGK Germany | 3 | | HS Code | 2933.99.9701 | | Storage Class | 11 - Combustible Solids |
| | (1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride Usage And Synthesis |
| Synthesis | 2-Benzoylamino-3-(2-oxocyclopentyl)propionate ethyl ester was synthesized from benzamide and ethyl pyruvate via condensation and addition reactions. Further hydrolysis, cyclization, and hydrogenation yielded the key intermediate of ramipril, (1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride. The synthetic reaction formula is shown in the figure below:  | | Chemical Properties | Thick Yellow Oil | | Uses | 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.
| | Uses | In intermediate in the synthesis of Ramipril |
| | (1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride Preparation Products And Raw materials |
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