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5-Benzyloxyindole

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Name

5-Benzyloxyindole

EINECS 214-930-1
CAS No. 1215-59-4 Density 1.196 g/cm3
Solubility Melting Point 100-104 °C(lit.)
Formula C15H13NO Boiling Point 411.6 °C at 760 mmHg
Molecular Weight 223.27 . Flash Point 148.9 °C
Transport Information Appearance Off-white to beige powder
Safety 26-24/25-22 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1215-59-4 (5-Benzyloxyindole) Hazard Symbols IrritantXi
Synonyms

Benzyloxy-5 indole [French];5-phenylmethoxy-1H-indole;5-Benzyloxy-1H-indole;5-(benzyloxy)-1H-indole;Indole, 5- (benzyloxy)-;1H-Indole, 5-(phenylmethoxy)- (9CI);Benzyloxy-5 indole;1H-Indole, 5- (phenylmethoxy)-;

 

5-Benzyloxyindole Specification

The 5-Benzyloxyindole, with the CAS registry number 1215-59-4, is also known as Indole, 5-benzyloxy-. It belongs to the product categories of Blocks; Indoles Oxindoles; Indoles and Derivatives; Pyrroles & Indoles; Indoline & Oxindole; Indole Series; Indoles; Simple Indoles; Indole; Pyrroles & Indoles; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 214-930-1. This chemical's molecular formula is C15H13NO and molecular weight is 223.27. Its IUPAC name is called 5-phenylmethoxy-1H-indole. The product should be sealed at 2-8 °C.

Physical properties of 5-Benzyloxyindole: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 3.71; (3)ACD/LogD (pH 7.4): 3.71; (4)ACD/BCF (pH 5.5): 390.86; (5)ACD/BCF (pH 7.4): 390.86; (6)ACD/KOC (pH 5.5): 2494.43; (7)ACD/KOC (pH 7.4): 2494.43; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 69.69 cm3; (13)Molar Volume: 186.5 cm3; (14)Surface Tension: 51.3 dyne/cm; (15)Density: 1.196 g/cm3; (16)Flash Point: 148.9 °C; (17)Enthalpy of Vaporization: 63.84 kJ/mol; (18)Boiling Point: 411.6 °C at 760 mmHg; (19)Vapour Pressure: 1.31E-06 mmHg at 25°C.

Preparation of 5-Benzyloxyindole: this chemical can be prepared by 1-(2-amino-5-benzyloxy-phenyl)-2-chloro-ethanone. This reaction will need reagent NaBH4 and solvents dioxane, H2O. The reaction time is 2 hours. The yield is about 64%.

5-Benzyloxyindole can be prepared by 1-(2-amino-5-benzyloxy-phenyl)-2-chloro-ethanone

Uses of 5-Benzyloxyindole: it can be used to produce indol-5-ol at temperature of 20 °C. This reaction is a kind of Hydrogenolysis. It will need reagent ammonium formate and catalyst 10 percent Pd/C with reaction time of 3 hours.

5-Benzyloxyindole can be used to produce indol-5-ol

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. What's more, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3
(2)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
(3)InChIKey: JCQLPDZCNSVBMS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 453, 1974.

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