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CAS No.: | 72914-19-3 |
---|---|
Name: | 4 4'-DI-TERT-BUTYL-2 2'-DIPYRIDYL 98 |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C18H24N2 |
Molecular Weight: | 268.402 |
Synonyms: | 4,4'-Bis(t-butyl)-2,2'-bipyridine;4,4'-Bis(tert-butyl)-2,2'-bipyridine;4,4'-Di-t-butyl-2,2'-bipyridyl;4,4'-Di-tert-butyl-2,2'-bipyridine;4,4'-Di-tert-butyl-2,2'-bipyridyl;4,4'-Di-tert-butyl-2,2'-dipyridyl;4,4'-Di-tert-butylbipyridine;BBBPY; |
Density: | 0.977 g/cm3 |
Melting Point: | 159-161 °C(lit.) |
Boiling Point: | 395.4 °C at 760 mmHg |
Flash Point: | 150.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 25.78000 |
LogP: | 4.73860 |
2-chloro-4-(1,1-dimethylethyl)pyridine
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
With manganese; nickel(II) bromide trihydrate In N,N-dimethyl-formamide at 20 - 60℃; for 20h; Inert atmosphere; | 90% |
4-tert-butylpyridine
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
With sodium In tetrahydrofuran; paraffin oil at 50℃; for 6h; | 80% |
With nickel In neat (no solvent) for 10h; Heating; | 63.7% |
With sodium amide at 145℃; for 6h; Dimerization; | 6.79 g |
4-tert-butylpyridine
A
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
With sodium In tetrahydrofuran; paraffin oil at 25℃; for 24h; | A 78% B 9% |
Stage #1: 4-tert-butylpyridine With [(DippNacnac)Mg(2,2,6,6-tetramethylpiperidide)] In tetrahydrofuran at 70℃; Inert atmosphere; Stage #2: Overall yield = 51 %; Overall yield = 55 mg; |
A
2,10-di-tert-butyldipyrido[1,2-c;2',1'-e]imidazol-6-one
C
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
With sodium tetrahydroborate In water; acetonitrile at -30 - 20℃; Inert atmosphere; | A 9 %Spectr. B 77% C n/a |
B
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
In acetonitrile Inert atmosphere; | A 71% B n/a |
B
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
In acetonitrile Inert atmosphere; | A 41% B n/a |
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
With sodium trimethoxyborohydride In acetonitrile Inert atmosphere; |
6-dimethylamino-2,10-di-tert-butyldipyrido[1,2-c;2',1'-e]imidazolium chloride
C
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: water; sodium hydroxide / 1.5 h / 100 °C / Inert atmosphere 2: acetonitrile / -35 - 20 °C / Inert atmosphere 3: sodium tetrahydroborate / acetonitrile / Inert atmosphere View Scheme |
6-dimethylamino-2,10-di-tert-butyldipyrido[1,2-c;2',1'-e]imidazolium chloride
B
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: water; sodium hydroxide / 1.5 h / 100 °C / Inert atmosphere 2: acetonitrile / -35 - 20 °C / Inert atmosphere 3: sodium tetrahydroborate / acetonitrile / Inert atmosphere View Scheme | |
Multi-step reaction with 3 steps 1: water; sodium hydroxide / 1.5 h / 100 °C / Inert atmosphere 2: acetonitrile / -35 - 20 °C / Inert atmosphere 3: sodium tetrahydroborate / water; acetonitrile / -30 - 20 °C / Inert atmosphere View Scheme |
6-dimethylamino-2,10-di-tert-butyldipyrido[1,2-c;2',1'-e]imidazolium chloride
4,4'-di-tert-butyl-2,2'-bipyridine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: water; sodium hydroxide / 1.5 h / 100 °C / Inert atmosphere 2: acetonitrile / -35 - 20 °C / Inert atmosphere 3: sodium trimethoxyborohydride / acetonitrile / Inert atmosphere View Scheme | |
Multi-step reaction with 3 steps 1: water; sodium hydroxide / 1.5 h / 100 °C / Inert atmosphere 2: acetonitrile / -35 - 20 °C / Inert atmosphere 3: potassium hydride / acetonitrile / Inert atmosphere View Scheme |
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The 2,2'-Bipyridine,4,4'-bis(1,1-dimethylethyl)-, with the CAS registry number 72914-19-3, is also known as 4,4'-Di-tert-butyl-2,2' bipyridyl. It belongs to the product categories of C9 to C46; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C18H24N2 and molecular weight is 268.3966. Its systematic name is called 4,4'-di-tert-butyl-2,2'-bipyridine.
Physical properties of 2,2'-Bipyridine,4,4'-bis(1,1-dimethylethyl)-: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 1422.32; (6)ACD/BCF (pH 7.4): 2041.34; (7)ACD/KOC (pH 5.5): 5665.36; (8)ACD/KOC (pH 7.4): 8131.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 83.8 cm3; (15)Molar Volume: 274.5 cm3; (16)Polarizability: 33.22×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 0.977 g/cm3; (19)Flash Point: 150.2 °C; (20)Enthalpy of Vaporization: 62.03 kJ/mol; (21)Boiling Point: 395.4 °C at 760 mmHg; (22)Vapour Pressure: 4.21E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: n1ccc(cc1c2nccc(c2)C(C)(C)C)C(C)(C)C
2.InChI: InChI=1/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3
3.InChIKey: TXNLQUKVUJITMX-UHFFFAOYAH