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Pyridine,3-(phenylmethyl)-
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Name

Pyridine,3-(phenylmethyl)-

 EINECS 210-661-9
CAS No. 620-95-1 Density 1.044 g/cm3
PSA 12.89000 LogP 2.67240
Solubility N/A Melting Point 34°C
Formula C12H11N Boiling Point 283.6 °C at 760 mmHg
Molecular Weight 169.226 Flash Point 118.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 620-95-1 (3-BENZYLPYRIDINE) Hazard Symbols N/A
Synonyms

CDD 3515;3-(Phenylmethyl)pyridine;3-Benzylpyridine;Pyridine,3-benzyl- (6CI,7CI,8CI);

Article Data 44

Pyridine,3-(phenylmethyl)- Synthetic route

5424-19-1

3-Benzoylpyridine

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol for 24h;94%
With ammonium formate; palladium on activated charcoal In acetic acid at 110℃; for 0.333333h;68%
With hydrazine hydrate; potassium hydroxide In diethylene glycol at 130 - 195℃; Wolff-Kishner reduction;62%
With phosphorus; hydrogen iodide at 190℃; im Rohr;
100-44-7

benzyl chloride

1692-25-7

3-pyridylboronic acid

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane; water at 100℃; for 4h; Suzuki-Miyaura cross-coupling; Inert atmosphere; Large scale reaction;94%
640-60-8

toluene-4-sulfonic acid phenyl ester

26364-02-3

hydrazone of pyridine-3-carboxaldehyde

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)nickel (0); 1,8-diazabicyclo[5.4.0]undec-7-ene; trimethylphosphane In tetrahydrofuran at 110℃; for 12h; Inert atmosphere; chemoselective reaction;94%
13326-10-8

benzyl methyl carbonate

1692-25-7

3-pyridylboronic acid

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); 1,5-bis-(diphenylphosphino)pentane In N,N-dimethyl-formamide at 80℃; for 24h; Suzuki coupling;93%

(3-pyridyl)AlEt2(OEt2)

100-39-0

benzyl bromide

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
With palladium diacetate; tris-(o-tolyl)phosphine In toluene at 60℃; for 10h; Solvent; Reagent/catalyst; Concentration; Inert atmosphere;91%

(3-pyridyl)AlEt2(OEt2)

100-44-7

benzyl chloride

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
With palladium diacetate; tris-(o-tolyl)phosphine In toluene at 60℃; for 10h; Inert atmosphere;90%
853955-69-8

[2-(hydroxymethyl)phenyl](dimethyl)phenylsilane

methyl pyridin-3-ylmethyl carbonate

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
With 1,1'-bis-(diphenylphosphino)ferrocene; copper (I) acetate In tetrahydrofuran at 80℃; for 8h;78%
626-55-1

3-Bromopyridine

benzyl boronic acid MIDA ester

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate In tetrahydrofuran; water at 80℃; Suzuki-Miyaura Coupling; Inert atmosphere; Sealed tube;78%
5281-18-5

benzaldehyde, hydrazone

67284-17-7

3-(tosyloxy)pyridine

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)nickel (0); 1,8-diazabicyclo[5.4.0]undec-7-ene; trimethylphosphane In tetrahydrofuran at 110℃; for 12h; Inert atmosphere; chemoselective reaction;76%
626-55-1

3-Bromopyridine

100-44-7

benzyl chloride

620-95-1

3-benzylpyridine

Conditions
ConditionsYield
Stage #1: benzyl chloride With indium(III) chloride; magnesium; lithium chloride In tetrahydrofuran at 25℃; for 2h; Schlenk technique; Inert atmosphere;
Stage #2: 3-Bromopyridine With bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl acetamide at 80℃; for 12h; Schlenk technique; Inert atmosphere;		75%

Pyridine,3-(phenylmethyl)- Specification

The Pyridine,3-(phenylmethyl)-, with the CAS registry number 620-95-1, is also known as ZINC01051780. Its EINECS registry number is 210-661-9. This chemical's molecular formula is C12H11N and molecular weight is 169.22244. Its IUPAC name is called 3-benzylpyridine.

Physical properties of Pyridine,3-(phenylmethyl)-: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 2.71; (4)ACD/BCF (pH 5.5): 37.92; (5)ACD/BCF (pH 7.4): 67.44; (6)ACD/KOC (pH 5.5): 397.63; (7)ACD/KOC (pH 7.4): 707.18; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.576; (11)Molar Refractivity: 53.65 cm3; (12)Molar Volume: 162 cm3; (13)Surface Tension: 41.9 dyne/cm; (14)Density: 1.044 g/cm3; (15)Flash Point: 118.6 °C; (16)Enthalpy of Vaporization: 50.15 kJ/mol; (17)Boiling Point: 283.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00537 mmHg at 25°C.

Preparation of Pyridine,3-(phenylmethyl)-: this chemical can be prepared by phenyl-pyridin-3-yl-methanone. This reaction will need reagents hydriodic acid and red phosphorus.

Pyridine,3-(phenylmethyl)- can be prepared by phenyl-pyridin-3-yl-methanone

Uses of Pyridine,3-(phenylmethyl)-: it can be used to produce 3-benzyl-piperidine. This reaction will need reagent H2 and solvent acetic acid.

Pyridine,3-(phenylmethyl)- can be used to produce 3-benzyl-piperidine

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CC2=CN=CC=C2
(2)InChI: InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2
(3)InChIKey: UUCLVSDUMKMBSM-UHFFFAOYSA-N

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