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| CAS No.: | 620-95-1 |
|---|---|
| Name: | 3-BENZYLPYRIDINE |
| Molecular Structure: | |
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| Formula: | C12H11N |
| Molecular Weight: | 169.226 |
| Synonyms: | CDD 3515;3-(Phenylmethyl)pyridine;3-Benzylpyridine;Pyridine,3-benzyl- (6CI,7CI,8CI); |
| EINECS: | 210-661-9 |
| Density: | 1.044 g/cm3 |
| Melting Point: | 34°C |
| Boiling Point: | 283.6 °C at 760 mmHg |
| Flash Point: | 118.6 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 12.89000 |
| LogP: | 2.67240 |
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| 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; |
| 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 | 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% |
| 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% |
| Conditions | Yield |
|---|---|
| With palladium diacetate; tris-(o-tolyl)phosphine In toluene at 60℃; for 10h; Solvent; Reagent/catalyst; Concentration; Inert atmosphere; | 91% |
| 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
- 620-95-1
3-benzylpyridine
| Conditions | Yield |
|---|---|
| With 1,1'-bis-(diphenylphosphino)ferrocene; copper (I) acetate In tetrahydrofuran at 80℃; for 8h; | 78% |
| 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% |
| 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% |
| 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% |
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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.
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Uses of Pyridine,3-(phenylmethyl)-: it can be used to produce 3-benzyl-piperidine. This reaction will need reagent H2 and solvent acetic acid.
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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