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3278-14-6

Basic Information
CAS No.: 3278-14-6
Name: 4-(DICHLOROMETHYL)PYRIDINE HCL
Article Data: 198
Molecular Structure:
Molecular Structure of 3278-14-6 (4-(DICHLOROMETHYL)PYRIDINE HCL)
Formula: C15H15NO
Molecular Weight: 225.29
Synonyms: Benzamide,N-phenethyl- (6CI,7CI,8CI);N-(2-Phenylethyl)benzamide;N-Benzoyl-2-phenylethylamine;N-Benzoyl-b-phenethylamine;N-Benzoylphenethylamine;N-Phenethylbenzamide;NSC 16618;
Density: 1.088 g/cm3
Melting Point: 117-118 °C
Boiling Point: 439 °C at 760 mmHg
Flash Point: 264.3 °C
PSA: 29.10000
LogP: 3.05000
Synthetic route
98-88-4

benzoyl chloride

64-04-0

phenethylamine

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 23℃;100%
With triethylamine In dichloromethane at 0 - 30℃; for 12h;100%
With sodium hydroxide In water at 10 - 20℃; for 3h; Cooling with ice;99%
1019849-88-7

(Z)-N-phenethylbenzimidoyl cyanide

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
With aluminum oxide In toluene at 130℃; for 1h; Temperature; Time; Reagent/catalyst; Solvent; Microwave irradiation; Inert atmosphere;100%
93638-44-9

phenyl(2-phenylaziridin-1-yl)methanone

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene for 2h; Heating;99%
Multi-step reaction with 2 steps
1: 70 percent / conc. aq. HCl / diethyl ether / 0.25 h
2: 1) n-BuLi / 1) hexane, THF 2) THF, 5 min
View Scheme
64-04-0

phenethylamine

65-85-0

benzoic acid

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In methanol at 110℃; for 0.416667h; Microwave irradiation;99%
With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium In methanol at 25℃; for 1h; Reagent/catalyst; Solvent;99%
With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In methanol at 20℃; for 2h;97%
64-04-0

phenethylamine

300561-20-0

N-benzoyl-N-(2,3,4,5,6-pentafluorophenyl)methanesulfonamide

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
In tetrahydrofuran at 23℃; for 0.333333h; Acylation;99%
93-58-3

benzoic acid methyl ester

64-04-0

phenethylamine

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
With 14C2H2F3O(1-)*6C4H8O*La2Na8(14+) at 80℃; for 6h; Inert atmosphere;99%
With sodium t-butanolate In neat (no solvent) at 20℃; for 1h; Inert atmosphere; Schlenk technique; Green chemistry;98%
With C18H15IMnN3O3; sodium t-butanolate In toluene at 90℃; for 18h; Inert atmosphere; Schlenk technique;95%
With niobium(V) oxide In neat (no solvent) at 140℃; for 30h; Molecular sieve; Inert atmosphere;91%
With zirconocene dichloride In toluene at 110℃; for 20h;74%
5908-41-8

benzoyltrimethylsilane

6926-44-9

phenethyl azide

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
With trifluorormethanesulfonic acid In dichloromethane at 20℃; for 0.166667h; Schmidt Reaction; Inert atmosphere;99%

(E)-1-((N,4-dimethylphenyl)sulfonamido)-2-phenylvinyl benzoate

64-04-0

phenethylamine

A

1005500-94-6

N-methyl-N-(p-tolylsulfonyl)phenylacetamide

B

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
In dichloromethane at 25℃; for 1h;A 99%
B 99%
5908-41-8

benzoyltrimethylsilane

1590361-11-7

O-diethylcarbamoyl-N-phenethylhydroxylamine

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
With citric acid In water; acetonitrile at 20℃; for 0.2h; chemoselective reaction;99%
7007-15-0

3-benzoyl-1,3-oxazolidin-2-one

64-04-0

phenethylamine

3278-14-6

N-phenethylbenzamide

Conditions
ConditionsYield
bis(cyclopentadienyl)titanium dichloride In tetrahydrofuran at 25℃; for 18h;98%
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Specification

The CAS register number of N-Phenethylbenzamide is 3278-14-6. It also can be called as Benzamide,N-(2-phenylethyl)- and the IUPAC name about this chemical is N-phenethylbenzamide. The molecular formula about this chemical is C15H15NO and the molecular weight is 225.29.

Physical properties about N-Phenethylbenzamide are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.87; (3)ACD/LogD (pH 7.4): 2.87; (4)ACD/BCF (pH 5.5): 90.08; (5)ACD/BCF (pH 7.4): 90.08; (6)ACD/KOC (pH 5.5): 872.45; (7)ACD/KOC (pH 7.4): 872.45; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 68.99 cm3; (14)Molar Volume: 206.9 cm3; (15)Polarizability: 27.35x10-24cm3; (16)Surface Tension: 43.7 dyne/cm; (17)Enthalpy of Vaporization: 69.59 kJ/mol; (18)Boiling Point: 439 °C at 760 mmHg; (19)Vapour Pressure: 6.61E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCc1ccccc1)c2ccccc2
(2)InChI: InChI=1/C15H15NO/c17-15(14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
(3)InChIKey: DAVRGGJTJDTVQT-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C15H15NO/c17-15(14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
(5)Std. InChIKey: DAVRGGJTJDTVQT-UHFFFAOYSA-N