N-Phenethylbenzamide supplier

Name
4-(DICHLOROMETHYL)PYRIDINE HCL
EINECS
CAS No. 3278-14-6
Article Data198
CAS DataBase
Density 1.088 g/cm³
Solubility
Melting Point 117-118 °C
Formula C₁₅H₁₅NO
Boiling Point 439 °C at 760 mmHg
Molecular Weight 225.29
Flash Point 264.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 29.10000
LogP 3.05000

Synthetic route

: 98-88-4
benzoyl chloride

: 64-04-0
phenethylamine

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With 14C2H2F3O(1-)6C4H8OLa2Na8(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

Conditions	Yield
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

Conditions	Yield
In dichloromethane at 25℃; for 1h;	A 99% B 99%

...Expand

: 5908-41-8
benzoyltrimethylsilane

: 1590361-11-7
O-diethylcarbamoyl-N-phenethylhydroxylamine

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
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

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

: C22H21N3OS

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran; methanol at 0℃;	98%

: 2566-22-5, 2901-76-0, 37002-52-1
DL-N-benzoylphenylalanine

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; 4,4'-dichlorodiphenyl disulfide; 10-methyl-9-(2,4,6-trimethylphenyl) acridinium tetrafluoroborate In 1,2-dichloro-ethane at 20℃; for 14h; Irradiation; Inert atmosphere;	98%
Multi-step reaction with 2 steps 1: DCC, DMAP 2: 93 percent / Bu3SnH, AIBN / benzene / 1 h / Heating View Scheme

: 64-04-0
phenethylamine

: 65-85-0
benzoic acid

A: 103-25-3
3-phenylpropanoic acid methyl ester

B: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With N-[4-methoxy-6-(N'-phenylbenzamido)-1,3,5-triazin-2-yl]-N-methylmorpholinium chloride In methanol at 20℃; for 4h;	A 8 %Spectr. B 97%

...Expand

: 39887-24-6
N-(2-phenylethyl)-p-chlorobenzamide

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With dimethylamine borane; potassium carbonate; triphenylphosphine; Ni(II)/C In acetonitrile for 7h; Heating;	96%

: 1245735-60-7
C22H21NO2S

: 98-88-4
benzoyl chloride

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
Stage #1: C22H21NO2S With piperidine In N,N-dimethyl-formamide at 25℃; for 0.0166667h; Stage #2: benzoyl chloride With triethylamine In N,N-dimethyl-formamide at 25℃; for 8h;	96%

: 55-21-0
benzamide

: 64-04-0
phenethylamine

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With sulfated tungstate In toluene for 12h; Reflux; Green chemistry;	96%
With chitosan In neat (no solvent) at 150℃; for 36h; Sealed tube;	90%
With 1-(3-sulfopropyl)pyridinium phosphotungstate In neat (no solvent) at 140℃; for 0.833333h; Microwave irradiation;	88%

: N-chloro-2-phenylethanamine

: 100-52-7
benzaldehyde

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper(II) acetate monohydrate at 82℃; for 0.833333h; Minisci Aromatic Substitution; Inert atmosphere;	96%
With tert.-butylhydroperoxide; 2,2'-azobis(isobutyronitrile) In water; acetonitrile at 80℃; for 24h; Mechanism;	82%
With tert.-butylhydroperoxide; iron(III) chloride hexahydrate In water; acetonitrile Inert atmosphere; Reflux;	57%

: 156-28-5
2-phenylethylamine hydrochloride

: 65-85-0
benzoic acid

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
Stage #1: benzoic acid With 1,1'-carbonyldiimidazole In neat (no solvent) for 0.0833333h; Milling; Stage #2: 2-phenylethylamine hydrochloride In neat (no solvent) for 0.166667h; Milling;	96%
Stage #1: benzoic acid With 1,1'-carbonyldiimidazole for 0.0833333h; Milling; Green chemistry; Stage #2: 2-phenylethylamine hydrochloride for 0.166667h; Milling; Green chemistry;	96%

: C16H17N3O4

: 64-04-0
phenethylamine

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
In methanol at 20℃; for 1.5h; Solvent;	96%

: 74491-35-3
C16H14N2

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With aluminum oxide at 20℃; Concentration; Inert atmosphere;	95%

: C17H17NO3S2

: 64-04-0
phenethylamine

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.5h;	95%

: 4-(5-allyl-6-isopropoxy-4-oxo-4,5-dihydro-1,3,5-triazine-2-yl)-4-methylmorpholine-4-ium chloride

: 64-04-0
phenethylamine

: 65-85-0
benzoic acid

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 0.5h;	95%

...Expand

: 67-56-1
methanol

: 37628-64-1
3-phenethyl-4,5-diphenyl-3H-oxazol-2-one

A: 93-58-3
benzoic acid methyl ester

B: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With oxygen Product distribution; Irradiation;	A 80% B 94%
Irradiation;	A 80% B 94%

...Expand

: 195874-39-6
C29H24N2O3Se

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene for 1h; Heating;	93%

: 93-89-0
benzoic acid ethyl ester

: 64-04-0
phenethylamine

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With potassium tert-butylate; water; oxygen In tetrahydrofuran at 20℃; for 0.25h;	93%

: 1-Benzoyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester

: 64-04-0
phenethylamine

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
Stage #1: 1-Benzoyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; for 15h; Stage #2: phenethylamine With dmap In dichloromethane at 20℃; for 8h;	93%

: 64-04-0
phenethylamine

: 215657-47-9
N-benzoyl-N-(2-fluorophenyl)methanesulfonamide

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
In tetrahydrofuran at 23℃; for 2h; Acylation;	91%

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 78007-47-3
trans-N-styryl-benzamide

A: 74923-17-4
methyl N-benzoylphenylalaninate

B: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With dicobalt octacarbonyl; hydrogen In tetrahydrofuran at 100℃; for 16h; Product distribution; Further Variations:; Temperatures; CO/H2 ratio;	A 91% B n/a

...Expand

: 99802-96-7
2-benzoyl-1,3-dimethyl-1H-imidazol-3-ium iodide

: 64-04-0
phenethylamine

: 3278-14-6
N-phenethylbenzamide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 1h; Inert atmosphere; Sealed tube; regioselective reaction;	91%

: 115975-10-5
C29H24N2O3

A: 119-61-9
benzophenone

B: 3278-14-6
N-phenethylbenzamide

C: 983-79-9
benzophenone azine

Conditions

Conditions	Yield
With 2-methylpropan-2-thiol In isopropyl alcohol Ambient temperature; Irradiation; Yields of byproduct given;	A n/a B 90% C n/a

...Expand

: 3278-14-6
N-phenethylbenzamide

: 407-25-0
trifluoroacetic anhydride

: N-(2-phenethyl)-benzimidoyl trifluoroacetate

Conditions

Conditions	Yield
In diethyl ether at 20 - 25℃;	100%

: 3278-14-6
N-phenethylbenzamide

: 52250-50-7
1-phenyl-3,4-dihydroisoquinoline

Conditions

Conditions	Yield
With 2-chloropyridine; trifluoromethylsulfonic anhydride In dichloromethane at -78 - 45℃; Bischler-Napieralski reaction; Inert atmosphere;	95%
With polyphosphoric acid at 180 - 200℃;	95%
With phosphorus pentoxide; trichlorophosphate In 5,5-dimethyl-1,3-cyclohexadiene Bischler-Napieralski Reaction; Reflux;	92%

: 3278-14-6
N-phenethylbenzamide

: 77988-90-0
N-(2-phenethyl)benzimidoyl chloride hydrochloride

Conditions

Conditions	Yield
With phosphorus pentachloride In benzene at 0℃; for 1h;	94%

: 3278-14-6
N-phenethylbenzamide

: 52250-51-8
1-phenyl-3,4-dihydroisoquinoline hydrochloride

Conditions

Conditions	Yield
Stage #1: N-phenethylbenzamide With phosphorus pentoxide; trichlorophosphate In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 5h; Stage #2: With hydrogenchloride In tert-butyl methyl ether; water for 1h;	93%

N-Phenethylbenzamide 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

Product Name

4-(DICHLOROMETHYL)PYRIDINE HCL

Synthetic route

N-Phenethylbenzamide Specification

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