CAS No.133240-06-9,1H-IMIDAZO[4,5-B]PYRIDINE, 2-ETHYL-5,7-DIMETHYL- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133240-06-9
Name:	1H-IMIDAZO[4,5-B]PYRIDINE, 2-ETHYL-5,7-DIMETHYL-
Article Data:	23

Formula:	C₁₀H₁₃N₃
Molecular Weight:	175.233
Synonyms:	1H-Imidazo[4,5-b]pyridine,2-ethyl-5,7-dimethyl- (9CI);2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridine;2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridine;5,7-Dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine;5,7-Dimethyl-2-ethylimidazo[4,5-b]pyridine;
Density:	1.14 g/cm³
Melting Point:	142-146 °C
Boiling Point:	370.502 °C at 760 mmHg
Flash Point:	174.175 °C
Appearance:	off-white powder
PSA:	41.57000
LogP:	2.13710

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Specification

The 3H-Imidazo[4, 5-b]pyridine, 2-ethyl-5, 7-dimethyl-, with the CAS registry number 133240-06-9, is also known as 2-Ethyl-5, 7-dimethyl-3H-imidazo[4, 5-b]pyridine. It belongs to the product categories of Aromatics Compounds; Aromatics; Bases & Related Reagents; Heterocycles; Nucleotides; Various Pyridine Derivatives; Pyridine Derivatives. This chemical's molecular formula is C₁₀H₁₃N₃ and molecular weight is 175.23. What's more, its systematic name is 2-Ethyl-5, 7-dimethyl-1H-imidazo[4, 5-b]pyridine.

Physical properties about 3H-Imidazo[4, 5-b]pyridine, 2-ethyl-5, 7-dimethyl- are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 53.91 cm³; (15)Molar Volume: 153.687 cm³; (16)Polarizability: 21.372×10^-24 cm³; (17)Surface Tension: 51.093 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 174.175 °C; (20)Enthalpy of Vaporization: 59.315 kJ/mol; (21)Boiling Point: 370.502 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 3H-Imidazo[4, 5-b]pyridine, 2-ethyl-5, 7-dimethyl-: this chemical is prepared by reaction of 4, 6-Dimethyl-pyridine-2, 3-diamine with Propionic acid. The reaction needs reagent Polyphosphoric acid. The reaction time is 5 hours with reaction temperature of 100 °C. The yield is about 69 %.

The 3H-Imidazo[4, 5-b]pyridine, 2-ethyl-5, 7-dimethyl- can be obtained by 4, 6-Dimethyl-pyridine-2, 3-diamine and Propionic acid.

Uses of 3H-Imidazo[4, 5-b]pyridine, 2-ethyl-5, 7-dimethyl-: it is used as building block in chemical synthesis. For example, it is used to produce 5, 7-Dimethyl-3-(4-bromobenzyl)-2-ethylimidazopyridine at ambient temperature. This reaction needs reagents N-Methylpyrrolidinone and NaOH. The reaction time is 2 hours. The yield is about 79 %.

3H-Imidazo[4, 5-b]pyridine, 2-ethyl-5, 7-dimethyl- can be used to produce 5, 7-Dimethyl-3-(4-bromobenzyl)-2-ethylimidazopyridine.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(cc(c2c1nc(n2)CC)C)C
(2) InChI: InChI=1/C10H13N3/c1-4-8-12-9-6(2)5-7(3)11-10(9)13-8/h5H,4H2,1-3H3,(H,11,12,13)
(3) InChIKey: XWWJWZJOSWSJQV-UHFFFAOYAT