CAS No.2016-04-8,N,N-DIMETHYLFORMAMIDE DIBENZYL ACETAL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2016-04-8
Name:	N,N-DIMETHYLFORMAMIDE DIBENZYL ACETAL
Article Data:	6

Formula:	C₁₇H₂₁NO₂
Molecular Weight:	271.359
Synonyms:	1,1-Bis(benzyloxy)trimethylamine;
EINECS:	217-946-7
Density:	1.073 g/cm³
Boiling Point:	354.3 °C at 760 mmHg
Flash Point:	137.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	21.70000
LogP:	3.26520

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Specification

The Methanamine,N,N-dimethyl-1,1-bis(phenylmethoxy)-, with the CAS registry number of 2016-04-8, is also known as 1,1-Bis(benzyloxy)trimethylamine. Its EINECS registry number is 217-946-7. Its molecular formula is C₁₇H₂₁NO₂ and molecular weight is 271.35. What's more, its IUPAC name is N,N-Dimethyl-1,1-bis(phenylmethoxy)methanamine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the Methanamine,N,N-dimethyl-1,1-bis(phenylmethoxy)- are: (1)ACD/LogP: 5.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.9; (5)ACD/BCF (pH 5.5): 13115.4; (6)ACD/BCF (pH 7.4): 17882.75; (7)ACD/KOC (pH 5.5): 28200.25; (8)ACD/KOC (pH 7.4): 38450.82; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 81.35 cm³; (15)Molar Volume: 252.8 cm³; (16)Surface Tension: 40.4 dyne/cm; (17)Density: 1.073 g/cm³; (18)Flash Point: 137.1 °C; (19)Enthalpy of Vaporization: 59.93 kJ/mol; (20)Boiling Point: 354.3 °C at 760 mmHg; (21)Vapour Pressure: 3.39E-05 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Benzyl-4-methylthio-5-fluoropyrimidin-2-one. This reaction needs solvent Dimethylformamide. The reaction time is 6 h with reaction temperature of 80 °C. The yield is about 48 %.

The Methanamine,N,N-dimethyl-1,1-bis(phenylmethoxy)- can react with 5-Fluoro-4-methylsulfanyl-1H-pyrimidin-2-one to get 1-Benzyl-4-methylthio-5-fluoropyrimidin-2-one

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: O(C(OCc1ccccc1)N(C)C)Cc2ccccc2
(2) InChI: InChI=1/C17H21NO2/c1-18(2)17(19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
(3) InChIKey: JFIKHFNGAURIIB-UHFFFAOYAA