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| CAS No.: | 20289-27-4 |
|---|---|
| Name: | 7-Benzyloxyindole |
| Article Data: | 11 |
| Molecular Structure: | |
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|
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| Formula: | C15H13NO |
| Molecular Weight: | 223.274 |
| Synonyms: | 7-Benzyloxy-1H-indole;7-phenylmethoxy-1H-indole; |
| Density: | 1.196 g/cm3 |
| Melting Point: | 70-74 °C |
| Boiling Point: | 411.6 °C at 760 mmHg |
| Flash Point: | 148.9 °C |
| Appearance: | Off-white crystalline powder |
| Hazard Symbols: |
 Xi
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| Safety: | 24/25 |
| PSA: | 25.02000 |
| LogP: | 3.74690 |
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Specification
The CAS register number of 7-Benzyloxyindole is 20289-27-4. It also can be called as 1H-Indole, 7-(phenylmethoxy)- and the IUPAC name about this chemical is 7-phenylmethoxy-1H-indole. The molecular formula about this chemical is C15H13NO and the molecular weight is 223.27. It belongs to the following product categories which include Blocks; IndolesOxindoles; Indoles and derivatives; Indoline & Oxindole; Indole Series; Indoles; Simple Indoles; Indole; Aromatics; Indole Derivatives; Building Blocks; Heterocyclic Building Blocks and so on.
Physical properties about 7-Benzyloxyindole are: (1)ACD/LogP: 3.71; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 14.16Å2; (6)Index of Refraction: 1.669; (7)Molar Refractivity: 69.69 cm3; (8)Molar Volume: 186.5 cm3; (9)Polarizability: 27.62x10-24cm3; (10)Surface Tension: 51.3 dyne/cm; (11)Flash Point: 148.9 °C; (12)Enthalpy of Vaporization: 63.84 kJ/mol; (13)Boiling Point: 411.6 °C at 760 mmHg; (14)Vapour Pressure: 1.31E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-benzyloxy-2-nitrophenylacetaldehyde semicarbazone. This reaction will need reagent NH4Cl, Fe and solvent H2O, ethanol at heating. The reaction time is 1 hour(s). The yield is about 76%
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Uses of 7-Benzyloxyindole: it can be used to produce 7-benzyloxy-indole-3-carbaldehyde with N,N-dimethyl-formamide . This reaction is a kind of Vilsmeir reaction. It will need reagent POCl3 and solvent dimethylformamide with reaction time of 80 min. The step of this reaction is 2. The yield is about 99%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cccc2c1ncc2)Cc3ccccc3
(2)InChI: InChI=1/C15H13NO/c1-2-5-12(6-3-1)11-17-14-8-4-7-13-9-10-16-15(13)14/h1-10,16H,11H2
(3)InChIKey: DIGZMTAFOACVBW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C15H13NO/c1-2-5-12(6-3-1)11-17-14-8-4-7-13-9-10-16-15(13)14/h1-10,16H,11H2
(5)Std. InChIKey: DIGZMTAFOACVBW-UHFFFAOYSA-N