Pyridine,3-(phenylmethyl)- supplier

Name
3-BENZYLPYRIDINE
EINECS 210-661-9
CAS No. 620-95-1
Article Data44
CAS DataBase
Density 1.044 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms CDD 3515;3-(Phenylmethyl)pyridine;3-Benzylpyridine;Pyridine,3-benzyl- (6CI,7CI,8CI);
PSA 12.89000
LogP 2.67240

Synthetic route

: 5424-19-1
3-Benzoylpyridine

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

: 626-55-1
3-Bromopyridine

: 1666-17-7
benzaldehyde p-toluenesulfonylhydrazone

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With palladium diacetate; caesium carbonate; tricyclohexylphosphine tetrafluoroborate In isopropyl alcohol; toluene at 80℃; for 12h; Inert atmosphere; Schlenk technique;	75%

: 626-55-1
3-Bromopyridine

: benzylic zinc mesylate

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With bis(triphenylphosphine)nickel(II) chloride In tetrahydrofuran for 24h; Inert atmosphere; Reflux;	73%

: 100-52-7
benzaldehyde

: 29173-25-9
1,4-bis(trimethylsilyl)-1-aza-2,5-cyclohexadiene

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran for 15h; Ambient temperature;	72%
With tetrabutyl ammonium fluoride In tetrahydrofuran for 15h; Ambient temperature;	72%
With tetrabutyl ammonium fluoride In tetrahydrofuran for 15h; Product distribution; Ambient temperature; regioselective alkyl group introduction; further aldehydes and ketones;	72%

: 626-55-1
3-Bromopyridine

: 28493-54-1
benzyltributyltin

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide at 90℃; for 18h; Stille Cross Coupling; Inert atmosphere;	71%

: 104-53-0
3-phenyl-propionaldehyde

: 2450-71-7
Propargylamine

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
In ethanol at 120℃; for 24h;	70%

: 100-39-0
benzyl bromide

: potassium (pyridin-3-yl)trifluoroborate

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In water at 90℃; for 22h; Suzuki-Miyaura cross-coupling;	67%

: 78823-78-6
10,10-dimethyl-9,10-dihydro-10-sila-2-azaanthracene

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With potassium ethoxide; 4-nitrobenzaldehdye In dimethyl sulfoxide at 60℃; for 3h;	65%

: 626-55-1
3-Bromopyridine

: 73085-90-2
benzyltitanium triisopropoxide

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With palladium diacetate; tricyclohexylphosphine In tetrahydrofuran at 40℃; for 24h; Inert atmosphere;	65%

: 157428-63-2, 177602-09-4, 151645-58-8
3-(α-acetoxybenzyl)pyridine

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With samarium diiodide; tert-butyl alcohol In tetrahydrofuran at 20℃; for 0.5h; Reduction;	56%

: 75424-64-5
2-Benzyl-pentanedial

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With hydroxylamine hydrochloride In ethanol for 2h; Heating;	55%

: 626-60-8
3-Chloropyridine

: 1589-82-8
phenylmagnesium bromide

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With cobalt acetylacetonate In 1,4-dioxane at 25℃; for 0.5h;	47%

: 104-53-0
3-phenyl-propionaldehyde

: 107-11-9
1-amino-2-propene

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With oxygen; sodium acetate; palladium diacetate; tricyclohexylphosphine In dimethyl sulfoxide at 100℃; for 5h;	46%

: 104-53-0
3-phenyl-propionaldehyde

: 109-76-2
Trimethylenediamine

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With oxygen; copper diacetate; acetic acid In chlorobenzene at 110℃; for 10h;	42%

: 6270-47-9
1-phenyl-1-(pyrid-3-yl)methanol

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
With chloro-trimethyl-silane; sodium iodide In acetonitrile at 55℃; for 120h;	26%

: 110-86-1
pyridine

: 100-44-7
benzyl chloride

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
at 250 - 270℃; im Rohr;

: 110-86-1
pyridine

: 620-05-3
iodomethylbenzene

: 620-95-1
3-benzylpyridine

Conditions

Conditions	Yield
at 250 - 270℃; im Rohr;

: 101-82-6
2-Benzylpyridine

<(pyridin-3-yl)phenylmethyl>lithium: <(pyridin-3-yl)phenylmethyl>lithium

A: 620-95-1
3-benzylpyridine

B

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether at 27℃; Equilibrium constant;

...Expand

: 92-83-1
xanthene

: 97254-18-7
<(pyridin-3-yl)phenylmethyl>lithium

A: 620-95-1
3-benzylpyridine

B: 40102-97-4
Xanthenyllithium

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether at 27℃; Equilibrium constant;

...Expand

: 97254-18-7
<(pyridin-3-yl)phenylmethyl>lithium

A: 620-95-1
3-benzylpyridine

B Lithium-isopropyl(trimethylsilyl)amid: Lithium-isopropyl(trimethylsilyl)amid

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether at 27℃; Equilibrium constant;

...Expand

: 21122-20-3
benzhydryl(phenyl)sulfane

: 97254-18-7
<(pyridin-3-yl)phenylmethyl>lithium

A: 620-95-1
3-benzylpyridine

B

Conditions

Conditions	Yield
In tetrahydrofuran at 27℃; Equilibrium constant;

...Expand

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

Product Name

3-BENZYLPYRIDINE

Synthetic route

Pyridine,3-(phenylmethyl)- Specification

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