Name: 6-TERT-BUTYLQUINOLINE
SKU: 68141-13-9

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Basic Information

Molecular Structure:
CAS No.:	68141-13-9
Name:	6-TERT-BUTYLQUINOLINE
Article Data:	5

Formula:	C₁₃H₁₅N
Molecular Weight:	185.269
Synonyms:	6-tert-Butylquinoline;6-(1,1-dimethylethyl)-quinolin;Einecs 268-835-5;
EINECS:	268-835-5
Density:	1.009 g/cm³
Boiling Point:	286.2 °C at 760 mmHg
Flash Point:	116.3 °C
PSA:	12.89000
LogP:	3.53230

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Specification

The CAS register number of Quinoline,6-(1,1-dimethylethyl)- is 68141-13-9. It also can be called as 6-(1,1-dimethylethyl)-quinolin and the systematic name about this chemical is 6-tert-butylquinoline. The molecular formula about this chemical is C₁₃H₁₅N and the molecular weight is 185.26. It belongs to the following product categories which include Alkylquinolines; Quinolines and so on.

Physical properties about Quinoline,6-(1,1-dimethylethyl)- are: (1)ACD/LogP: 3.77; (2)ACD/LogD (pH 5.5): 3.59; (3)ACD/LogD (pH 7.4): 3.77; (4)ACD/BCF (pH 5.5): 282.04; (5)ACD/BCF (pH 7.4): 430.52; (6)ACD/KOC (pH 5.5): 1747.82; (7)ACD/KOC (pH 7.4): 2667.97; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.89 Å²; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 60.57 cm³; (13)Molar Volume: 183.4 cm³; (14)Polarizability: 24.01x10^-24cm³; (15)Surface Tension: 37.2 dyne/cm; (16)Density: 1.009 g/cm³; (17)Flash Point: 116.3 °C; (18)Enthalpy of Vaporization: 50.42 kJ/mol; (19)Boiling Point: 286.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00462 mmHg at 25 °C.

Preparation: this chemical can be prepared by propane-1,2,3-triol and 4-tert-butyl-aniline. This reaction will need reagents of As₂O₅, conc. H₂SO₄ and the yield is about 30%.

Quinoline,6-(1,1-dimethylethyl)- can be prepared by propane-1,2,3-triol and 4-tert-butyl-aniline.

Uses of Quinoline,6-(1,1-dimethylethyl)-: it can be used to produce 6-(tert-butyl)-1,2,3,4-tetrahydroquinoline and 6-tert-butylquinoline. This reaction will need reagent of hydrogen and solvent of trifluoroacetic acid. This reaction needs catalytic agent of platinum oxide and the yield is about 86%.

Quinoline,6-(1,1-dimethylethyl)- can be used to produce 6-(tert-butyl)-1,2,3,4-tetrahydroquinoline and 6-tert-butylquinoline.

When you are using this chemical, please be cautious about it as the following:
This chemical is stable under normal temperature and pressure. If you want to store it, you should keep it in dry protection gas and the container tightly sealed in dry, cool places in room temperature and avoid contact with oxide, heat source.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc2cc(ccc12)C(C)(C)C
(2)InChI: InChI=1/C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3
(3)InChIKey: JHAWWJQGHKGXHA-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3
(5)Std. InChIKey: JHAWWJQGHKGXHA-UHFFFAOYSA-N