8-Boc-8-azabicyclo[3.2.1]oct-2-en-3-yl Trifluoromethanesulfonate - CAS 185099-68-7
Catalog: |
BB014188 |
Product Name: |
8-Boc-8-azabicyclo[3.2.1]oct-2-en-3-yl Trifluoromethanesulfonate |
CAS: |
185099-68-7 |
Synonyms: |
3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester; tert-butyl 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate |
IUPAC Name: | tert-butyl 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate |
Description: | 8-Boc-8-azabicyclo[3.2.1]oct-2-en-3-yl Trifluoromethanesulfonate (CAS# 185099-68-7 ) is a useful research chemical. |
Molecular Weight: | 357.35 |
Molecular Formula: | C13H18F3NO5S |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2CCC1C=C(C2)OS(=O)(=O)C(F)(F)F |
InChI: | InChI=1S/C13H18F3NO5S/c1-12(2,3)21-11(18)17-8-4-5-9(17)7-10(6-8)22-23(19,20)13(14,15)16/h6,8-9H,4-5,7H2,1-3H3 |
InChI Key: | CJDKVEWDWXIBSM-UHFFFAOYSA-N |
MDL: | MFCD14635483 |
LogP: | 3.92700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112654605-A | Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof | 20190809 |
WO-2021027647-A1 | Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof | 20190809 |
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CN-109575022-B | Compound and application thereof | 20171225 |
US-2020352931-A1 | Oxalamides as modulators of indoleamine 2,3-dioxygenase | 20171212 |
Complexity: | 615 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 357.08577833 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 357.08577833 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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