N-Boc-4-(hydroxymethyl)-1,2,3,6-tetrahydropyridine - CAS 203663-26-7
Catalog: |
BB015860 |
Product Name: |
N-Boc-4-(hydroxymethyl)-1,2,3,6-tetrahydropyridine |
CAS: |
203663-26-7 |
Synonyms: |
4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester; tert-butyl 4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate |
Description: | N-Boc-4-(hydroxymethyl)-1,2,3,6-tetrahydropyridine (CAS# 203663-26-7) is a useful reagent in the synthesis of 5-acyl-4-methylene-1,2,3,4-tetrahydropyridines. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=CC1)CO |
InChI: | InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h4,13H,5-8H2,1-3H3 |
InChI Key: | XTXKANSXTANTFE-UHFFFAOYSA-N |
LogP: | 1.48380 |
Publication Number | Title | Priority Date |
CA-3047370-A1 | Pyran dervatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors | 20161222 |
EP-3558981-A1 | Pyran dervatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors | 20161222 |
JP-2020502229-A | Pyran derivatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors | 20161222 |
KR-20190095950-A | Pyran derivatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors | 20161222 |
US-2019359601-A1 | Pyran dervatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors | 20161222 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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