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N-[(3-Benzyloxypyridin-2-yl)methyl]formamide

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Name

N-[(3-Benzyloxypyridin-2-yl)methyl]formamide

EINECS N/A
CAS No. 952024-31-6 Density 1.174 g/cm3
PSA 51.22000 LogP 2.93340
Solubility N/A Melting Point N/A
Formula C14H14N2O2 Boiling Point 467.093 °C at 760 mmHg
Molecular Weight 242.277 Flash Point 236.289 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 952024-31-6 (N-[(3-Benzyloxypyridin-2-yl)methyl]formamide) Hazard Symbols N/A
Synonyms

Formamide,N-[[3-(phenylmethoxy)-2-pyridinyl]methyl]-;

Article Data 2

N-[(3-Benzyloxypyridin-2-yl)methyl]formamide Synthetic route

64-18-6

formic acid

88423-14-7

C-(3-benzyloxypyridin-2-yl)methylamine

952024-31-6

N-(3-benzyloxypyridin-2-ylmethyl)formamide

Conditions
ConditionsYield
for 3h; Heating / reflux; Neat (no solvent);99%
for 3h; Heating / reflux;99%
952024-31-6

N-(3-benzyloxypyridin-2-ylmethyl)formamide

8-benzyloxy-imidazo[1,5-a]pyridine

Conditions
ConditionsYield
With trichlorophosphate for 1.5h; Heating / reflux;67%
With trichlorophosphate In toluene for 1.5h; Heating / reflux;67%

N-[(3-Benzyloxypyridin-2-yl)methyl]formamide Specification

The N-[(3-Benzyloxypyridin-2-yl)methyl]formamide, with the CAS registry number of 952024-31-6, is also known as Formamide,N-[[3-(phenylmethoxy)-2-pyridinyl]methyl]-. It belongs to the product category of API intermediates. This chemical's molecular formula is C14H14N2O2 and molecular weight is 242.28. What's more, both its systematic name and IUPAC name are the same which is called N-[(3-Phenylmethoxypyridin-2-yl)methyl]formamide.

Physical properties about the N-[(3-Benzyloxypyridin-2-yl)methyl]formamide are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 22.07; (5)ACD/KOC (pH 7.4): 22.274; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 51.22 Å2; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 68.841 cm3; (12)Molar Volume: 206.313 cm3; (13)Surface Tension: 48.222 dyne/cm; (14)Density: 1.174 g/cm3; (15)Flash Point: 236.289 °C; (16)Enthalpy of Vaporization: 72.901 kJ/mol; (17)Boiling Point: 467.093 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:c1ccc(cc1)COc2cccnc2CNC=O
(2) InChI:InChI=1/C14H14N2O2/c17-11-15-9-13-14(7-4-8-16-13)18-10-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,15,17)
(3) InChIKey:LGCQBSYMPVEUIB-UHFFFAOYAE

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