5-Benzyloxyindole - CAS 1215-59-4
Catalog: |
BB005205 |
Product Name: |
5-Benzyloxyindole |
CAS: |
1215-59-4 |
Synonyms: |
5-phenylmethoxy-1H-indole; 5-phenylmethoxy-1H-indole |
IUPAC Name: | 5-phenylmethoxy-1H-indole |
Description: | 5-Benzyloxyindole (CAS# 1215-59-4) is used as reagent/reactant in regioselective preparation of CF3-β-tryptamine derivatives via base-free thermal ring-opening reaction of N-nosyl-2-CF3-aziridine with indoles. |
Molecular Weight: | 223.27 |
Molecular Formula: | C15H13NO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3 |
InChI: | InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2 |
InChI Key: | JCQLPDZCNSVBMS-UHFFFAOYSA-N |
Boiling Point: | 411.6 °C at 760 mmHg |
Purity: | 98.0% |
Density: | 1.196 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00005676 |
LogP: | 3.74690 |
GHS Hazard Statement: | H302 (20%): 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-2021203007-A1 | Substituted 5-hydroxyindole compounds as modulators of alpha-1 antitrypsin | 20200403 |
WO-2021203014-A1 | Pyrano[4,3-b]l ndole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
CN-111303171-A | Benzofuran indole compound, preparation and application thereof | 20200327 |
CN-111303171-B | Benzofuran indole compound, preparation and application thereof | 20200327 |
WO-2021187270-A1 | Binder for all-solid secondary battery, binder composition for all-solid secondary battery, slurry for all-solid secondary battery, solid electrolyte sheet for all-solid secondary battery and production method thereof, and all-solid secondary battery and production method thereof | 20200317 |
PMID | Publication Date | Title | Journal |
20965726 | 20101201 | 5-benzyloxytryptamine as an antagonist of TRPM8 | Bioorganic & medicinal chemistry letters |
18528573 | 20080621 | Synthesis and biological evaluation of novel oxophenylarcyriaflavins as potential anticancer agents | Organic & biomolecular chemistry |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
15567979 | 20041201 | Indolalkylamines derivatives as antioxidant and neuroprotective agents in an experimental model of Parkinson's disease | Medical science monitor : international medical journal of experimental and clinical research |
12558035 | 20030101 | Lasting chemiluminescence of 3-indoleglyoxylyl chloride and its enhancement | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 25 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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