5-Benzyloxyindole

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%.

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.

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.