CAS No.50488-34-1,2-Bromo-4-(tert-butyl)pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50488-34-1
Name:	2-Bromo-4-(tert-butyl)pyridine
Article Data:	7

Formula:	C₉H₁₂BrN
Molecular Weight:	214.105
Synonyms:	2-Bromo-4-tert-butylpyridine;
Density:	1.293 g/cm³
Boiling Point:	243.638 °C at 760 mmHg
Flash Point:	101.149 °C
PSA:	12.89000
LogP:	3.14160

Synthetic route

: 81167-60-4
2-chloro-4-(1,1-dimethylethyl)pyridine

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

Conditions

Conditions	Yield
With trimethylsilyl bromide; propiononitrile for 21h; Reflux;	100%
With trimethylsilyl bromide for 48h; Reflux;	80%

: C12H12F6LiNO

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

Conditions

Conditions	Yield
With 1,2-dibromo-1,1,2,2-tetrachloroethane In tetrahydrofuran; diethyl ether at -107℃;	50%

: 3978-81-2
4-tert-butylpyridine

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

Conditions

Conditions	Yield
Stage #1: 4-tert-butylpyridine With n-butyllithium; 2-(N,N-dimethylamino)ethanol at -5℃; for 1h; Inert atmosphere; Stage #2: With carbon tetrabromide at -78 - 20℃; Inert atmosphere;	45%
Multi-step reaction with 3 steps 1: -78 °C 2: lithium 2,2,6,6-tetramethylpiperidide / tetrahydrofuran; diethyl ether / 1 h / -107 °C 3: 50 percent / (Cl2CBr)2 / tetrahydrofuran; diethyl ether / -107 °C View Scheme

: 23569-17-7
4-tert-butylpyridine N-oxide

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

Conditions

Conditions	Yield
Stage #1: 4-tert-butylpyridine N-oxide With phosphorus(V) oxybromide In 1,2-dichloro-ethane at 20 - 70℃; Stage #2: With water; sodium hydroxide In 1,2-dichloro-ethane pH=10; Cooling;	14%
Multi-step reaction with 2 steps 1: trichlorophosphate / 24 h / Reflux 2: trimethylsilyl bromide / 48 h / Reflux View Scheme
Multi-step reaction with 2 steps 1: trichlorophosphate / 20 h / Cooling with ice; Reflux 2: trimethylsilyl bromide; propiononitrile / 21 h / Reflux View Scheme

: 87432-73-3
C12H13F6NO

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium 2,2,6,6-tetramethylpiperidide / tetrahydrofuran; diethyl ether / 1 h / -107 °C 2: 50 percent / (Cl2CBr)2 / tetrahydrofuran; diethyl ether / -107 °C View Scheme

: 3652-90-2
2-bromo-9H-carbazole

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

: 2-bromo-9-(4-(tert-butyl)pyridin-2-yl)-9H-carbazole

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; copper(l) iodide; lithium tert-butoxide In toluene at 130℃; for 24h; Inert atmosphere;	99%
With 1-methyl-1H-imidazole; copper(l) iodide; lithium tert-butoxide In toluene at 130℃; for 24h; Inert atmosphere;	99%
With 1-methyl-1H-imidazole; copper(l) iodide; lithium tert-butoxide In toluene at 20 - 130℃; for 48h; Inert atmosphere;	99%
With 1-methyl-1H-imidazole; copper(l) iodide; potassium carbonate In toluene at 115 - 125℃; for 96h; Inert atmosphere;	96%
With copper(l) iodide; potassium carbonate In toluene at 115 - 125℃; for 96h; Inert atmosphere;	96%

: 6-bromo-2-methoxy-9H-carbazole

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

: C22H21BrN2O

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide; trans-1,2-cyclohexanediamine In 1,4-dioxane at 120℃; for 12h;	95%

: 1393812-51-5
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9H-carbazole

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

: 2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9-(4-tert-butylpyridin-2-yl)-9H-carbazole

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); johnphos; sodium t-butanolate In 1,4-dioxane; toluene at 95 - 105℃; for 48h; Inert atmosphere;	94%
With tris-(dibenzylideneacetone)dipalladium(0); johnphos; sodium t-butanolate In 1,4-dioxane; toluene at 95 - 105℃; for 48h; Schlenk technique; Inert atmosphere; Sealed tube;	94%

: 6-tert-butyl-2-methoxycarbazole

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

: C26H30N2O

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole; copper(l) chloride; lithium tert-butoxide In toluene at 130℃; for 42h; Inert atmosphere;	93%

: 101-16-6
3-methoxy-N-phenylaniline

: 50488-34-1
2-bromo-4-(tert-butyl)pyridine

: 4-(tert-butyl)-N-(3-methoxyphenyl)-N-phenylpyridin-2-amine

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate In toluene for 18h; Reflux;	89%

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Specification

The Pyridine, 2-bromo-4-(1,1-dimethylethyl)-, with the CAS registry number 50488-34-1, is also known as 2-Bromo-4-(2-methyl-2-propanyl)pyridine. This chemical's molecular formula is C₉H₁₂BrN and molecular weight is 213.02. What's more, its IUPAC name is called 2-Bromo-4-tert-butylpyridine.

Physical properties about Pyridine, 2-bromo-4-(1,1-dimethylethyl)- are: (1)ACD/LogP: 3.219; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.70; (6)ACD/BCF (pH 7.4): 164.72; (7)ACD/KOC (pH 5.5): 1343.72; (8)ACD/KOC (pH 7.4): 1343.85; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 50.421 cm³; (15)Molar Volume: 165.53 cm³; (16)Polarizability: 19.989×10^-24cm³; (17)Surface Tension: 34.08 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 101.149 °C; (20)Enthalpy of Vaporization: 46.119 kJ/mol; (21)Boiling Point: 243.638 °C at 760 mmHg; (22)Vapour Pressure: 0.050 mmHg at 25 °C.

Preparation of Pyridine, 2-bromo-4-(1,1-dimethylethyl)-: this chemical can be prepared by C₁₂H₁₂F₆LiNO. This reaction needs reagent (Cl₂CBr)₂ and solvents tetrahydrofuran, diethyl ether at temperature of -107 °C. The yield is 50 %.

Pyridine, 2-bromo-4-(1,1-dimethylethyl)- can be prepared by C12H12F6LiNO.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)c1ccnc(Br)c1
(2) InChI: InChI=1S/C9H12BrN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3
(3) InChIKey: JOACEYFXFYWUIK-UHFFFAOYSA-N