-
Name
N-(2-pyridylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
- EINECS 260-729-7
- CAS No. 57415-36-8
- Density 1.372 g/cm3
- Solubility
- 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
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms N-(2-Pyridylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;N-(Pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;
- PSA 60.45000
- LogP 4.28470
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 | Yield |
|---|---|
| In hexane; toluene | 93.4% |
-
-
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 | Yield |
|---|---|
| With triethylamine In water; benzene |
-
-
3731-51-9
(2-aminomethylpyridine)
-
-
57415-36-8
2,5-bis(2,2,2-trifluoroethoxy)-N-(pyridin-2-ylmethyl)-benzamide
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| Pt-C In acetic acid | 89% |
-
-
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 | Yield |
|---|---|
| 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
Related Products
- Benzamide
- Benzamide, 2,3-diamino-
- Benzamide, 2,3-difluoro-
- Benzamide, 2,4-dichloro-6-methyl-
- Benzamide, 2,5-bis(trifluoromethyl)-
- Benzamide, 2-amino-4-chloro-
- Benzamide, 2-amino-4-chloro-N-cyclopropyl-
- Benzamide, 2-amino-5-nitro-N-phenyl-
- Benzamide, 2-amino-N-(2-methoxyphenyl)-
- Benzamide, 2-amino-N-propyl-
- 574-17-4
- 57418-97-0
- 574-19-6
- 57-42-1
- 5742-19-8
- 57422-77-2
- 5743-04-4
- 5743-12-4
- 57-43-2
- 5743-26-0
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View