1-Boc-4-(trifluoromethylsulfonyloxy)-5,6-dihydro-2H-pyridine - CAS 138647-49-1
Catalog: |
BB008823 |
Product Name: |
1-Boc-4-(trifluoromethylsulfonyloxy)-5,6-dihydro-2H-pyridine |
CAS: |
138647-49-1 |
Synonyms: |
4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester; tert-butyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate |
Description: | 1-Boc-4-(trifluoromethylsulfonyloxy)-5,6-dihydro-2H-pyridine (CAS# 138647-49-1) is a useful research chemical. |
Molecular Weight: | 331.31 |
Molecular Formula: | C11H16F3NO5S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=CC1)OS(=O)(=O)C(F)(F)F |
InChI: | InChI=1S/C11H16F3NO5S/c1-10(2,3)19-9(16)15-6-4-8(5-7-15)20-21(17,18)11(12,13)14/h4H,5-7H2,1-3H3 |
InChI Key: | WUBVEMGCQRSBBT-UHFFFAOYSA-N |
Boiling Point: | 361.2 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
Appearance: | Light yellow low melting solid or liquid |
MDL: | MFCD09997858 |
LogP: | 3.39600 |
GHS Hazard Statement: | H302 (100%): 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 |
WO-2021178920-A1 | Compounds for targeted degradation of brd9 | 20200305 |
WO-2021142420-A1 | PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN | 20200110 |
WO-2021071802-A1 | Aryl heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
KR-102112336-B1 | Heterocyclic compound as a protein kinase inhibitor | 20190812 |
KR-20190096917-A | Heterocylic compound as a protein kinase inhibitor | 20190812 |
Complexity: | 528 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.07012827 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.07012827 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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