CAS No.2243-89-2,2,4,6-TRIMETHYLQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2243-89-2
Name:	2,4,6-TRIMETHYLQUINOLINE
Article Data:	27

Formula:	C₁₂H₁₃N
Molecular Weight:	171.242
Synonyms:	2,4,6-Trimethylquinoline;4,6-Dimethylquinaldine;
EINECS:	218-823-0
Density:	1.034 g/cm³
Melting Point:	68°C
Boiling Point:	281.8 °C at 760 mmHg
Flash Point:	115.9 °C
PSA:	12.89000
LogP:	3.16000

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Specification

The Quinoline,2,4,6-trimethyl-, with the CAS registry number 2243-89-2, has the IUPAC name 2,4,6-trimethylquinoline. Its molecular formula is C₁₂H₁₃N and its molecular weight is 171.23832. Additionally, its EINECS is 218-823-0.

Other characteristics of the Quinoline,2,4,6-trimethyl- can be summarised as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 16.43; (6)ACD/BCF (pH 7.4): 212.5; (7)ACD/KOC (pH 5.5): 118.69; (8)ACD/KOC (pH 7.4): 1534.96; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 56.66 cm³; (15)Molar Volume: 165.5 cm³; (16)Polarizability: 22.46×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.034 g/cm³; (19)Flash Point: 115.9 °C; (20)Enthalpy of Vaporization: 49.97 kJ/mol; (21)Boiling Point: 281.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00594 mmHg at 25°C.

Production method of the Quinoline,2,4,6-trimethyl-: It could be obtained by the reactant of 3-iodo-2,4,6-trimethyl-1,2,3,4-tetrahydro-quinoline. This reaction needs the reagent of Na₂S₂O₃, and the solvent of H₂O. The yield is 20 %.

the Quinoline,2,4,6-trimethyl- could be obtained by the reactant of 3-iodo-2,4,6-trimethyl-1,2,3,4-tetrahydro-quinoline

Uses of the Quinoline,2,4,6-trimethyl-: It could react with 2-bromo-1-phenyl-ethanone to obtain the 5,7-dimethyl-2-phenyl-pyrrolo[1,2-a]quinoline. This reaction needs the solvent of benzene. The yield is 50 %. In addition, this reaction should be taken for 5 hours. The other condition is heating.

The Quinoline,2,4,6-trimethyl- could react with 2-bromo-1-phenyl-ethanone to obtain the 5,7-dimethyl-2-phenyl-pyrrolo[1,2-a]quinoline

You can still convert the following datas into molecular structure:
1.SMILES: n1c(cc(c2cc(ccc12)C)C)C
2.InChI: InChI=1/C12H13N/c1-8-4-5-12-11(6-8)9(2)7-10(3)13-12/h4-7H,1-3H3
3.InChIKey: ZXGXGZGKWSUMJK-UHFFFAOYAO