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4916-57-8

4916-57-8 Structure

4916-57-8 Structure
IdentificationBack Directory
[Name]

1,2-BIS(4-PYRIDYL)ETHANE
[CAS]

4916-57-8
[Synonyms]

NSC 11477
4,4'-ETHYLENEDIPYRIDINE
1,2-BIS(4-PYRIDYL)ETHANE
4,4'-Ethylenebispyridine
1,2-DI-(4-PYRIDYL) ETHANE
4,4'-Ethylenebis(pyridine)
1,2-di(pyridin-4-yl)ethane
1,2-Bis(4-pyridyl)ethane 99%
1,2-Bis(4-pyridyl)ethane,97%
1,2-Bis(4-pyridyl)ethane ,96%
1,2-Bis(4-pyridyl)ethane, 97% 1GR
1,2-Bis-(4-pyridyl)ethane, GC 97%
1,2-Bis(4-pyridyl)ethane,4,4′-Ethylenedipyridine
[EINECS(EC#)]

225-543-2
[Molecular Formula]

C12H12N2
[MDL Number]

MFCD00006451
[MOL File]

4916-57-8.mol
[Molecular Weight]

184.24
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystals or cryst. powder
[Melting point ]

110-112 °C(lit.)
[Boiling point ]

174 °C / 3mmHg
[density ]

1.1160 (rough estimate)
[refractive index ]

1.6266 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Crystals or Crystalline Powder
[pka]

6.13±0.10(Predicted)
[color ]

White to light yellow or pinkish
[InChI]

InChI=1S/C12H12N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-10H,1-2H2
[InChIKey]

DQRKTVIJNCVZAX-UHFFFAOYSA-N
[SMILES]

C(C1C=CN=CC=1)CC1C=CN=CC=1
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystals or cryst. powder
[Uses]

1,2-Bis(4-pyridyl)ethane has been used as a flexible bridging ligand in the synthesis of metal-organic frameworks.
[General Description]

1,2-Bis(4-pyridyl)ethane is an N-donor ligand mainly used in the formation of molecular and coordination polymers with metal ions.
[Synthesis]

4-Methylpyridine

108-89-4

1,2-BIS(4-PYRIDYL)ETHANE

4916-57-8

1,2,3-Tri-4-pyridylpropane

5421-79-4

General procedure for the synthesis of 1,2-bis(4-pyridyl)ethane and tirofiban impurity 90 from 4-methylpyridine: 4-methylpyridine (1.6 g, 17.18 mmol), powdered sulfur (275 mg, 8.59 mmol), and concentrated hydrochloric acid (12 M, 0.48 mL, 5.76 mmol) were mixed, heated to 120 °C and stirred for 24 hours. After completion of the reaction, the mixture was cooled to room temperature and extracted by adding dichloromethane (20 mL) and water. The organic phase was separated and purified by column chromatography (eluent: ethyl acetate/ethylamine = 97/2/1 to 90/7/3) to afford yellow solid 1,2-bis(4-pyridyl)ethane (520 mg, yield: 16%) and 4',4''-(propane-1,2,3-triyl)tripyridine (1.2 g, yield: 25%).

[References]

[1] Organic Letters, 2013, vol. 15, # 16, p. 4218 - 4221
[2] Patent: CN108440393, 2018, A. Location in patent: Paragraph 0055; 0058; 0059; 0060; 0061
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Tetrahydrofuran-->Dichloromethane-->Sodium carbonate-->Sodium sulfate-->Sodium chloride-->n-Butyllithium-->Sodium sulfite-->Benzoyl peroxide-->Cyclohexane-->Diisopropylamine-->1,2-Dibromoethane-->4-Methylpyridine-->1,2,3-Tri-4-pyridylpropane
Spectrum DetailBack Directory
[Spectrum Detail]

1,2-BIS(4-PYRIDYL)ETHANE(4916-57-8)1HNMR
1,2-BIS(4-PYRIDYL)ETHANE(4916-57-8)13CNMR
1,2-BIS(4-PYRIDYL)ETHANE(4916-57-8)IR1
1,2-BIS(4-PYRIDYL)ETHANE(4916-57-8)Raman
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