Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Butyl-1H-imidazole-4-carbaldehyde

Related Products

Hot Products

Name

2-Butyl-1H-imidazole-4-carbaldehyde

EINECS 614-393-7
CAS No. 68282-49-5 Density 1.099 g/cm3
PSA 45.75000 LogP 1.56480
Solubility N/A Melting Point 118-119 oC
Formula C8H12N2O Boiling Point 359.1 °C at 760 mmHg
Molecular Weight 152.196 Flash Point 174.8 °C
Transport Information N/A Appearance white solid
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 68282-49-5 (2-Butyl-1H-imidazole-4-carbaldehyde) Hazard Symbols IrritantXi
Synonyms

1H-Imidazole-4-carboxaldehyde,2-butyl- (9CI);2-Butyl-1H-imidazole-4-carboxaldehyde;2-Butyl-1H-imidazole-5-carboxaldehyde;2-Butyl-3H-imidazole-4-carboxaldehyde;2-Butyl-4-formylimidazole;2-Butyl-5-formylimidazole;2-n-Butyl-4-formylimidazole;2-n-Butyl-4-imidazolecarboxaldehyde;2-n-Butyl-5-imidazolecarboxaldehyde;2-butyl-1H-imidazole-5-carbaldehyde;1H-imidazole-5-carboxaldehyde, 2-butyl-;

Article Data 16

2-Butyl-1H-imidazole-4-carbaldehyde Synthetic route

68283-19-2

2-butyl-5-hydroxymethyl-1H-imidazole

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
With oxygen; 2percent V/C In various solvent(s) at 105℃; under 750.075 Torr; for 6h;100%
With manganese(IV) oxide In dichloromethane Oxidation;
7440-69-9

bismuth

aqueous H2 O2

aqueous H2 O2

7664-93-9

sulfuric acid

7440-44-0

pyrographite

68283-19-2

2-butyl-5-hydroxymethyl-1H-imidazole

7440-06-4

platinum

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
With sodium hydroxide In water100%
With sodium hydroxide In water98.2%
With sodium hydroxide In methanol; water94.5%
7440-69-9

bismuth

7440-44-0

pyrographite

68283-19-2

2-butyl-5-hydroxymethyl-1H-imidazole

108-10-1

4-methyl-2-pentanone

7440-06-4

platinum

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
With sodium hydroxide In dodecane; water90%
7440-69-9

bismuth

aqueous H2 O2

aqueous H2 O2

7440-44-0

pyrographite

68283-19-2

2-butyl-5-hydroxymethyl-1H-imidazole

108-10-1

4-methyl-2-pentanone

7440-06-4

platinum

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
With sodium hydroxide In dodecane; water88.2%
83857-96-9

2-n-butyl-4-chloro-1H-imidazol-5-carboxaldehyde

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
Stage #1: 2-n-butyl-4-chloro-1H-imidazol-5-carboxaldehyde With hydrogen; triethylamine; palladium 10% on activated carbon In methanol at 20 - 25℃; under 2942.29 - 3677.86 Torr; for 8 - 10h;
Stage #2: With hydrogenchloride In water at 25 - 30℃; pH=1.2;
Stage #3: With sodium carbonate In water pH=6.8 - 7.5; Product distribution / selectivity;
74%
68283-19-2

2-n-butyl-4-(hydroxymethyl)imidazole

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
With sodium hydroxide; bismuth(III) sulfate; dihydrogen peroxide; platinum on carbon In water at 20 - 62℃; for 3.5 - 4.5h; Product distribution / selectivity;61%
50790-93-7

2-butyl-1H-imidazole

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2O
2: MnO2 / CH2Cl2
View Scheme
Multi-step reaction with 2 steps
1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C
1.2: 2 h / 0 - 25 °C
2.1: n-butyllithium / tetrahydrofuran / -78 °C / Inert atmosphere
2.2: -78 - -50 °C / Inert atmosphere
2.3: 2 h / 0 - 25 °C
View Scheme
110-59-8

pentanonitrile

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 72 percent / hydrogen chloride / 18 h / 0 - 15 °C
2: 75 percent / NH3 / 60 °C / high pressure
3: MnO2 / CH2Cl2
View Scheme

2-butyl-3-dimethylaminomethylimidazole

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
With hydrogenchloride; n-butyllithium In tetrahydrofuran; hexane; N,N-dimethyl-formamide
148454-64-2

2-butyl-3-dimethylaminosulfonylimidazole

68-12-2, 33513-42-7

N,N-dimethyl-formamide

68282-49-5

2-butyl-1H-imidazole-5-carboxaldehyde

Conditions
ConditionsYield
Stage #1: 2-butyl-3-dimethylaminosulfonylimidazole With n-butyllithium In tetrahydrofuran at -78℃; Inert atmosphere;
Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78 - -50℃; Inert atmosphere;
Stage #3: With hydrogenchloride In tetrahydrofuran; water at 0 - 25℃; for 2h;

2-Butyl-1H-imidazole-4-carbaldehyde Specification

The 1H-Imidazole-5-carboxaldehyde,2-butyl-, with the CAS registry number 68282-49-5, has the systematic name of 2-butyl-1H-imidazole-5-carbaldehyde. And the molecular formula of this chemical is C8H12N2O. It belongs to the product categories of Imidazol and Benzimidazole.

The physical properties of 1H-Imidazole-5-carboxaldehyde,2-butyl- are as following: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.74; (6)ACD/BCF (pH 7.4): 1.82; (7)ACD/KOC (pH 5.5): 51.19; (8)ACD/KOC (pH 7.4): 53.44; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 44.34 cm3; (15)Molar Volume: 138.4 cm3; (16)Polarizability: 17.57×10-24cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 174.8 °C; (20)Enthalpy of Vaporization: 60.46 kJ/mol; (21)Boiling Point: 359.1 °C at 760 mmHg; (22)Vapour Pressure: 2.44E-05 mmHg at 25°C.

Uses of 1H-Imidazole-5-carboxaldehyde,2-butyl-: It can react with 2,2-dimethyl-propionic acid chloromethyl ester to produce 2,2-dimethyl-propionic acid 2-butyl-4-formyl-imidazol-1-ylmethyl ester. This reaction will need reagent K2CO3 and solvent dimethylformamide. The reaction time is 22 hours with temperature of 25°C, and the yield is about 99%. 

1H-Imidazole-5-carboxaldehyde,2-butyl- can react with 2,2-dimethyl-propionic acid chloromethyl ester to produce 2,2-dimethyl-propionic acid 2-butyl-4-formyl-imidazol-1-ylmethyl ester
 
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and 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: O=Cc1cnc(n1)CCCC
(2)InChI: InChI=1/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)
(3)InChIKey: PTHGVOCFAZSNNA-UHFFFAOYAB

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 68282-49-5