473049

(1S,4S)-(−)-2-Boc-2,5-diazabicyclo[2.2.1]heptane

95%

• Synonym(s): tert-Butyl (1S,4S)-(−)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
• Empirical Formula (Hill Notation): C₁₀H₁₈N₂O₂
• CAS Number: 113451-59-5
• Molecular Weight: 198.26
• MDL number: MFCD01569250
• UNSPSC Code: 12352005
• PubChem Substance ID: 24870862
• NACRES: NA.22

Properties

• Assay: 95%
• optical activity: [α]22/D −44°, c = 1 in chloroform
• mp: 74-76 °C (lit.)
• SMILES string: CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2
• InChI: 1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
• InChI key: UXAWXZDXVOYLII-YUMQZZPRSA-N

Description

Application

(1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane may be used in the preparation of 2-boc-5-(4-nitrophenyl)-2,5-diaza-bicyclo[2.2.1]heptane by reacting with p-nitrobenzene.
It may also be used to develop:

• indazolylpyrazolo[1,5-a]pyrimidine analogs based B-Raf inhibitors
• CCR2 antagonists
• α4β2 nicotinic acetylcholine receptor (nAChR) partial agonists
• azabicyclic sulfonamide based 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable