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| CAS No.: | 181210-18-4 |
|---|---|
| Name: | 2,3,4,5-Tetrahydro-N,N-dimethyl-1-[(4-methylphenyl)sulfonyl]-1H-1-benzazepin-5-amine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C19H24N2O2S |
| Molecular Weight: | 344.4711 |
| Synonyms: | N,N-Dimethyl-1-[(4-methylphenyl)sulfonyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine; |
| Density: | 1.239 g/cm3 |
| Boiling Point: | 472.597 °C at 760 mmHg |
| Flash Point: | 239.619 °C |
| PSA: | 49.00000 |
| LogP: | 4.73260 |
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Specification
The 5-(Dimethylamino)-2,3,4,5-tetrahydro-1-tosyl-1H-benzazepine, with the CAS registry number 181210-18-4. This chemical's molecular formula is C19H24N2O2S and molecular weight is 344.4711. What's more, its systematic name is called N,N-Dimethyl-1-[(4-methylphenyl)sulfonyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.
Physical properties about 5-(Dimethylamino)-2,3,4,5-tetrahydro-1-tosyl-1H-benzazepine are: (1)ACD/LogP: 3.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 51; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 98.38 cm3; (15)Molar Volume: 277.972 cm3; (16)Polarizability: 39.001×10-24 cm3; (17)Surface Tension: 54.466 dyne/cm; (18)Density: 1.239 g/cm3; (19)Flash Point: 239.619 °C; (20)Enthalpy of Vaporization: 73.557 kJ/mol; (21)Boiling Point: 472.597 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 5-(Dimethylamino)-2,3,4,5-tetrahydro-1-tosyl-1H-benzazepine: this chemical can be prepared by Formaldehyde and Methyl-[1-(toluene-4-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl]-amine.
![5-(Dimethylamino)-2,3,4,5-tetrahydro-1-tosyl-1H-benzazepine can be prepared by Formaldehyde and Methyl-[1-(toluene-4-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl]-amine](/UserFilesUpload/Preparation of 5-(Dimethylamino)-2,3,4,5-tetrahydro-1-tosyl-1H-benzazepine.jpg)
This reaction needs reagents NaBH3CN, Acetic acid and solvent Methanol. The reaction time is 1 hours. The yield is 78%.
Uses of 5-(Dimethylamino)-2,3,4,5-tetrahydro-1-tosyl-1H-benzazepine: it is used to produce other chemicals. For example, it is used to produce Dimethyl-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-amine.
![5-(Dimethylamino)-2,3,4,5-tetrahydro-1-tosyl-1H-benzazepine is used to produce Dimethyl-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-amine](/UserFilesUpload/Uses of 5-(Dimethylamino)-2,3,4,5-tetrahydro-1-tosyl-1H-benzazepine.jpg)
The reaction occurs with reagent Polyphosphoric acid at temperature of 150 °C. It needs react for 2 hours. The yield is 97%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(cc1)C)N3c2ccccc2C(N(C)C)CCC3
(2) InChI: InChI=1/C19H24N2O2S/c1-15-10-12-16(13-11-15)24(22,23)21-14-6-9-18(20(2)3)17-7-4-5-8-19(17)21/h4-5,7-8,10-13,18H,6,9,14H2,1-3H3
(3) InChIKey: BSWHHAVSUXMXAH-UHFFFAOYAW