CAS No.952024-31-6,N-[(3-Benzyloxypyridin-2-yl)methyl]formamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	952024-31-6
Name:	N-[(3-Benzyloxypyridin-2-yl)methyl]formamide
Article Data:	2

Formula:	C₁₄H₁₄N₂O₂
Molecular Weight:	242.277
Synonyms:	Formamide,N-[[3-(phenylmethoxy)-2-pyridinyl]methyl]-;
Density:	1.174 g/cm³
Boiling Point:	467.093 °C at 760 mmHg
Flash Point:	236.289 °C
PSA:	51.22000
LogP:	2.93340

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

Conditions	Yield
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

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

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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