| Identification | More | [Name]
5-Benzyloxyindole | [CAS]
1215-59-4 | [Synonyms]
5-BENZYLOXY-1H-INDOLE
5-BENZYLOXYINDOLE
BENZYLOXYINDOLE(5-)
TIMTEC-BB SBB003331
5-(Phenylmethoxy)-1H-indole
5-benzyloxy-indol
Benzyloxy-5 indole
Indole, 5-(benzyloxy)-
bis-hydroxyethyl-p-aniline sulphate
bredreck`s
5-BENZYLOXYINDOLE CRYSTALLINE
5-BENZYLOXYINDOLE: 94%, MAY CONTAIN UP TO CA 7% TOLUENE
5-Benzyloxyindole (contains ca. 5% Toluene and Ethanol)
5-(Phenylmethoxy)indole
5-Benzyloxyindole ,98% | [EINECS(EC#)]
214-930-1 | [Molecular Formula]
C15H13NO | [MDL Number]
MFCD00005676 | [Molecular Weight]
223.27 | [MOL File]
1215-59-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-white to beige powder | [Melting point ]
100-104 °C (lit.) | [Boiling point ]
364.56°C (rough estimate) | [density ]
1.0707 (rough estimate) | [refractive index ]
1.5500 (estimate) | [storage temp. ]
2-8°C
| [solubility ]
ethanol: may be hazy yellow
| [form ]
powder
| [pka]
16.63±0.30(Predicted) | [color ]
white to light yellow
| [Detection Methods]
HPLC,NMR | [BRN ]
173532 | [Exposure limits]
ACGIH: TWA 20 ppm
OSHA: Ceiling 300 ppm; TWA 200 ppm
NIOSH: IDLH 500 ppm; TWA 100 ppm(375 mg/m3); STEL 150 ppm(560 mg/m3) | [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 | [InChIKey]
JCQLPDZCNSVBMS-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=C(OCC3=CC=CC=C3)C=C2)C=C1 | [CAS DataBase Reference]
1215-59-4(CAS DataBase Reference) | [NIST Chemistry Reference]
1H-indole, 5-(phenylmethoxy)-(1215-59-4) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust . | [WGK Germany ]
3
| [RTECS ]
NL4850000
| [F ]
8-10 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white to beige powder | [Uses]
Reactant in regio- and stereoselective morpholine-catalyzed direct C-3 alkenylation with α,β-unsaturated aldehydes Reactant in selective debenzylation of protective groups using SiliaCat-palladium under mild reaction conditions Reactant in metal-free Friedel-Crafts alkylation reactions Reactant in preparation of protein kinase (PKC) inhibitors Reactant in preparation of indole/quinoline carbothioic acid amide derivatives. | [Synthesis]
The reduction reaction of 4-benzyloxy-2-(2-pyrrolidinylvinyl)nitrobenzene was carried out using (E)-1-(5-(benzyloxy)-2-nitrophenylvinyl)pyrrolidine as a starting material, with reference to the method of Example 32, in the presence of 5% rhodium/carbon powder and a metal compound such as ferrous acetate (II), nickel nitrate (II) or cobalt acetylacetonate (III) as a catalyst. The results of the experiments are listed in Table 5 and show that in the presence of the reducing agent of the present invention, the yield of 5-benzyloxyindole was significantly increased while the yield of 5-hydroxyindole as a by-product was decreased as compared to the counterpart 4. | [Purification Methods]
It is recrystallised from *C6H6/pet ether or pet ether. The picrate forms red crystals from *C6H6 and has m 142-143o. [Burton & Leong Chem Ind (London) 1035 1953, Ek & Witkop J Am Chem Soc 76 5579 1954, fluorescence: Bridges & Williams Biochem J 107 225 1968, Beilstein 27 III/IV 1758.] | [References]
[1] Patent: EP1541582, 2005, A1. Location in patent: Page/Page column 39
[2] Patent: EP1541582, 2005, A1. Location in patent: Page/Page column 39
[3] Patent: EP1541582, 2005, A1. Location in patent: Page/Page column 39
[4] Patent: EP1541582, 2005, A1. Location in patent: Page/Page column 39
[5] Tetrahedron Letters, 2006, vol. 47, # 6, p. 969 - 972 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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