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56795-92-7

Basic Information
CAS No.: 56795-92-7
Name: 5-BENZYLOXY-1H-PYRROLO(2,3-C)PYRIDINE-3- CARBOXALDEHYDE, 97
Molecular Structure:
Molecular Structure of 56795-92-7 (5-BENZYLOXY-1H-PYRROLO(2,3-C)PYRIDINE-3- CARBOXALDEHYDE, 97)
Formula: C15H12N2O2
Molecular Weight: 252.27
Synonyms: 5-BENZYLOXY-1H-PYRROLO(2,3-C)PYRIDINE-3- CARBOXALDEHYDE, 97;5-Benzyloxy-6-azaindole-3-carboxaldehyde;5-(Benzyloxy)-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;5-(Phenylmethoxy)-1H-pyrrolo[2,3-c]pyridine-3-carboxaldehyde;5-(benzylo×y)-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde
Density: 1.317 g/cm3
Melting Point: 194-198 °C
Boiling Point: 479.5 °C at 760 mmHg
Flash Point: 243.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 54.98000
LogP: 2.95440
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Specification

The CAS registry number of 1H-Pyrrolo[2,3-c]pyridine-3-carboxaldehyde,5-(phenylmethoxy)- is 56795-92-7. The systematic name is 5-(benzyloxy)-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde. In addition, the molecular formula is C15H12N2O2 and the molecular weight is 252.27. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 0.6; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 20.18; (6)ACD/KOC (pH 5.5): 7.3; (7)ACD/KOC (pH 7.4): 242.07; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 44.12 Å2; (12)Index of Refraction: 1.706; (13)Molar Refractivity: 74.53 cm3; (14)Molar Volume: 191.4 cm3; (15)Polarizability: 29.54 ×10-24cm3; (16)Surface Tension: 62.6 dyne/cm; (17)Density: 1.317 g/cm3; (18)Flash Point: 243.8 °C; (19)Enthalpy of Vaporization: 74.38 kJ/mol; (20)Boiling Point: 479.5 °C at 760 mmHg; (21)Vapour Pressure: 2.36E-09 mmHg at 25°C.

Uses of 1H-Pyrrolo[2,3-c]pyridine-3-carboxaldehyde,5-(phenylmethoxy)-: it can be used to get 3-hydroxymethyl-1,4,6,7-tetrahydro-pyrrolo[2,3-c]pyridin-5-one. This reaction will need reagent H2, catalyst 10percent Pd/C and solvent dimethylformamide. The reaction time is 48 hours with ambient temperature. The yield is about 70%.

1H-Pyrrolo[2,3-c]pyridine-3-carboxaldehyde,5-(phenylmethoxy)- can be used to get 3-hydroxymethyl-1,4,6,7-tetrahydro-pyrrolo[2,3-c]pyridin-5-one.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c1cc(ncc1nc2)OCc3ccccc3
(2)InChI: InChI=1/C15H12N2O2/c18-9-12-7-16-14-8-17-15(6-13(12)14)19-10-11-4-2-1-3-5-11/h1-9,16H,10H2
(3)InChIKey: OZWLZROTVDCROC-UHFFFAOYAF