N-Boc-3-(hydroxymethyl)indole - CAS 96551-22-3
Catalog: |
BB041989 |
Product Name: |
N-Boc-3-(hydroxymethyl)indole |
CAS: |
96551-22-3 |
Synonyms: |
3-(hydroxymethyl)-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-(hydroxymethyl)indole-1-carboxylate |
IUPAC Name: | tert-butyl 3-(hydroxymethyl)indole-1-carboxylate |
Description: | N-Boc-3-(hydroxymethyl)indole (CAS# 96551-22-3) can be used in the preparation of arylpiperidinones for treatment of inflammation. |
Molecular Weight: | 247.29 |
Molecular Formula: | C14H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CO |
InChI: | InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-10(9-16)11-6-4-5-7-12(11)15/h4-8,16H,9H2,1-3H3 |
InChI Key: | OOVPQKQFSDFRFA-UHFFFAOYSA-N |
Boiling Point: | 396 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD05864717 |
LogP: | 2.91680 |
Publication Number | Title | Priority Date |
US-2020199118-A1 | Antibacterial compounds | 20170316 |
WO-2016202894-A1 | Method of converting alcohol to halide | 20150617 |
TW-201536293-A | A therapeutic drug for cancer resistant to FGFR inhibitors | 20130718 |
TW-201536294-A | Intermittent administration of anti-tumor agents for FGFR inhibitors | 20130718 |
TW-I574691-B | Anti - tumor agents for intermittent administration of FGFR inhibitors | 20130718 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.1208434 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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