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Benzamide,N-(2-pyridinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-
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Name

Benzamide,N-(2-pyridinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-

 EINECS 260-729-7
CAS No. 57415-36-8 Density 1.372 g/cm3
PSA 60.45000 LogP 4.28470
Solubility N/A Melting Point 99-101°C
Formula C17H14F6N2O3 Boiling Point 441.1 °C at 760 mmHg
Molecular Weight 408.3 Flash Point 220.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 57415-36-8 (N-(2-pyridylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide) Hazard Symbols N/A
Synonyms

N-(2-Pyridylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;N-(Pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;

 

Benzamide,N-(2-pyridinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)- Synthetic route

3731-51-9

(2-aminomethylpyridine)

389082-83-1

2,5-bis(2,2,2-trifluoroethoxy)-α,α-dibromo-α-chloroacetophenone

57415-36-8

2,5-bis(2,2,2-trifluoroethoxy)-N-(pyridin-2-ylmethyl)-benzamide

Conditions
ConditionsYield
In hexane; toluene93.4%
3731-51-9

(2-aminomethylpyridine)

50778-59-1

2,5-bis(2,2,2-trifluoroethoxy)benzoic acid chloride

57415-36-8

2,5-bis(2,2,2-trifluoroethoxy)-N-(pyridin-2-ylmethyl)-benzamide

Conditions
ConditionsYield
With triethylamine In water; benzene
3731-51-9

(2-aminomethylpyridine)

C14H12F6O6

57415-36-8

2,5-bis(2,2,2-trifluoroethoxy)-N-(pyridin-2-ylmethyl)-benzamide

Conditions
ConditionsYield
In ethyl acetate at 15 - 25℃; for 1h;
3731-51-9

(2-aminomethylpyridine)

35480-52-5

2,5-di-(2,2,2-trifluoroethoxy)benzoic acid

57415-36-8

2,5-bis(2,2,2-trifluoroethoxy)-N-(pyridin-2-ylmethyl)-benzamide

Conditions
ConditionsYield
Stage #1: 2,5-di-(2,2,2-trifluoroethoxy)benzoic acid With pivaloyl chloride; triethylamine In dichloromethane; N,N-dimethyl acetamide at -30 - -20℃;
Stage #2: 2-(Aminomethyl)pyridine In dichloromethane; N,N-dimethyl acetamide at -20℃; for 2h;
Stage #3: With sodium carbonate In dichloromethane; N,N-dimethyl acetamide; water Product distribution / selectivity;
Stage #1: 2,5-di-(2,2,2-trifluoroethoxy)benzoic acid With chloroformic acid ethyl ester; triethylamine In dichloromethane; N,N-dimethyl acetamide at -30 - -20℃;
Stage #2: 2-(Aminomethyl)pyridine In dichloromethane; N,N-dimethyl acetamide at -20℃; for 2h;
Stage #3: With sodium carbonate In dichloromethane; N,N-dimethyl acetamide; water Product distribution / selectivity;
Stage #1: 2,5-di-(2,2,2-trifluoroethoxy)benzoic acid With pivaloyl chloride; triethylamine In dichloromethane; N,N-dimethyl-formamide at -30 - -20℃;
Stage #2: 2-(Aminomethyl)pyridine In dichloromethane; N,N-dimethyl acetamide at -20℃; for 2h;
Stage #3: With sodium carbonate In dichloromethane; water; N,N-dimethyl-formamide Product distribution / selectivity;
Stage #1: 2,5-di-(2,2,2-trifluoroethoxy)benzoic acid With 4-methyl-morpholine; pivaloyl chloride In dichloromethane; N,N-dimethyl acetamide at -30 - -20℃;
Stage #2: 2-(Aminomethyl)pyridine In dichloromethane; N,N-dimethyl acetamide at -20℃; for 2h;
Stage #3: With sodium carbonate In dichloromethane; N,N-dimethyl acetamide; water Product distribution / selectivity;
57415-36-8

2,5-bis(2,2,2-trifluoroethoxy)-N-(pyridin-2-ylmethyl)-benzamide

54143-56-5

flecainide acetate

Conditions
ConditionsYield
Pt-C In acetic acid89%
57415-36-8

2,5-bis(2,2,2-trifluoroethoxy)-N-(pyridin-2-ylmethyl)-benzamide

64-19-7

acetic acid

54143-56-5

flecainide acetate

Conditions
ConditionsYield
Stage #1: 2,5-bis(2,2,2-trifluoroethoxy)-N-(pyridin-2-ylmethyl)-benzamide With hydrogen; acetic acid; palladium 10% on activated carbon; platinum on carbon at 69 - 72℃; under 2925.29 - 4425.44 Torr; for 5h;
Stage #2: With sodium hydroxide In water pH=13 - 14;
Stage #3: acetic acid In ethyl acetate at 31℃;		86%

Benzamide,N-(2-pyridinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)- Specification

The Benzamide,N-(2-pyridinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-, with the CAS registry number 57415-36-8, is also known as N-(2-Pyridylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide. Its EINECS number is 260-729-7. This chemical's molecular formula is C17H14F6N2O3 and molecular weight is 408.30. What's more, its systematic name is N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide.

Physical properties of Benzamide,N-(2-pyridinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)- are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 84.96; (6)ACD/BCF (pH 7.4): 91.34; (7)ACD/KOC (pH 5.5): 819.36; (8)ACD/KOC (pH 7.4): 880.9; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 51.66 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 85.99 cm3; (15)Molar Volume: 297.5 cm3; (16)Polarizability: 34.08×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.372 g/cm3; (19)Flash Point: 220.6 °C; (20)Enthalpy of Vaporization: 69.83 kJ/mol; (21)Boiling Point: 441.1 °C at 760 mmHg; (22)Vapour Pressure: 5.6E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COc2cc(C(=O)NCc1ncccc1)c(OCC(F)(F)F)cc2
(2)Std. InChI: InChI=1S/C17H14F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h1-7H,8-10H2,(H,25,26)
(3)Std. InChIKey: YCKWLOJVFNPJAW-UHFFFAOYSA-N

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