3-Boc-6-oxa-3-azabicyclo[3.1.0]hexane - CAS 114214-49-2
Catalog: |
BB003321 |
Product Name: |
3-Boc-6-oxa-3-azabicyclo[3.1.0]hexane |
CAS: |
114214-49-2 |
Synonyms: |
6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester; tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate |
IUPAC Name: | tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate |
Description: | 3-Boc-6-oxa-3-azabicyclo[3.1.0]hexane (CAS# 114214-49-2) is used in the synthesis of chiral pyrrolidine Inhibitors with the ability to bind to N euronal Nitric Oxide Synthase. |
Molecular Weight: | 185.22 |
Molecular Formula: | C9H15NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2C(C1)O2 |
InChI: | InChI=1S/C9H15NO3/c1-9(2,3)13-8(11)10-4-6-7(5-10)12-6/h6-7H,4-5H2,1-3H3 |
InChI Key: | NXZIGGBPLGAPTI-UHFFFAOYSA-N |
Boiling Point: | 252.725 °C at 760 mmHg |
Density: | 1.182 g/cm3 |
MDL: | MFCD08691407 |
LogP: | 0.94240 |
GHS Hazard Statement: | H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185440-A | Preparation method of medical intermediate N-BOC-3-pyrroline | 20210513 |
WO-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
WO-2021121363-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections | 20191220 |
WO-2021094830-A2 | Nitrogen oxide-donating pde-5 and/or pde-6 inhibitor compounds | 20191111 |
CN-110734456-A | compounds, preparation method and medical application thereof | 20191106 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.10519334 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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