1H-Imidazole, 2-ethyl-4,5-dihydro-4-methyl-

Base Information

• Chemical Name: 1H-Imidazole, 2-ethyl-4,5-dihydro-4-methyl-
• CAS No.: 931-35-1
• Deprecated CAS: 88242-99-3
• Molecular Formula: C6H12N2
• Molecular Weight: 112.175
• Hs Code.: 2933290090
• European Community (EC) Number: 618-914-9
• DSSTox Substance ID: DTXSID00883613
• Nikkaji Number: J110.432B
• Mol file: 931-35-1.mol

Synonyms:931-35-1;1H-Imidazole, 2-ethyl-4,5-dihydro-4-methyl-;2-Ethyl-5-methyl-4,5-dihydro-1H-imidazole;2-ethyl-4-methylimidazolin;2-Ethyl-4-methyl-4,5-dihydro-1H-imidazole;2-ETHYL-4-METHYL IMIDAZOLIN;1H-Imidazole, 2-ethyl-4,5-dihydro-5-methyl-;2-ethyl-4-methyl-2-imidazoline;(r,s)-2-ethyl-5-methyl-4,5-dihydro-1h-imidazole;2-ethyl-4-methyl-imidazoline;SCHEMBL106885;SCHEMBL8367405;2-Ethyl-5-methyl-2-imidazoline;DTXSID00883613;AKOS006272976;FT-0691664;1H-Imidazole,2-ethyl-4,5-dihydro-5-methyl-;2-Ethyl-5-methyl-4,5-dihydro-1H-imidazole #

Chemical Property of 1H-Imidazole, 2-ethyl-4,5-dihydro-4-methyl-

Chemical Property:

• Vapor Pressure: 0.216mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 215.5 °C at 760 mmHg
• Flash Point: 84.1 °C
• PSA: 24.39000
• Density: 1.03 g/cm³
• LogP: 0.55100
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

98%Min ^*data from raw suppliers

2-ETHYL-4-METHYL IMIDAZOLIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NCC(N1)C

Technology Process of 1H-Imidazole, 2-ethyl-4,5-dihydro-4-methyl-

There total 7 articles about 1H-Imidazole, 2-ethyl-4,5-dihydro-4-methyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

propanoic acid methyl ester (554-12-1) + 1,2-diaminopropan (78-90-0,10424-38-1) → 2-ethyl-4-methyl-1-imidazoline (931-35-1)

Guidance literature:

With activated alumina; In 5,5-dimethyl-1,3-cyclohexadiene; at 80 ℃; for 3h; Reagent/catalyst;

Reference yield: 87.1%

1,2-diaminopropan (78-90-0,10424-38-1) + propiononitrile (107-12-0) → 2-ethyl-4-methyl-1-imidazoline (931-35-1)

Guidance literature:

With sulfur dichloride; at 100 - 130 ℃; for 4.5h;

Reference yield: 38.0%

1-Nitropropane (108-03-2) + 1,2-diaminopropan (78-90-0,10424-38-1) → 2-ethyl-4(5)-methyl-2-imidazoline (931-35-1,88242-99-3)

Guidance literature:

With phosphonic Acid; at 160 ℃; for 6h;

DOI:10.1039/c9ra08630g

upstream raw materials:

sodium proprionate

1,2-diaminopropan

propiononitrile

propanoic acid methyl ester

Downstream raw materials:

2-ethyl-4-methyl-1H-imidazole

Refernces

• 1、 Aksenov, Alexander V.,Aksenov, Nicolai A.,Arutiunov, Nikolai A.,Malyuga, Vladimir V.,Ovcharov, Sergey N.,Rubin, Michael. "Electrophilically activated nitroalkanes in reaction with aliphatic diamines en route to imidazolines". . p. 39458 - 39465. Retrieved 2019/12/14.
• 2、 Zimmerman, Steven C.,Cramer, Katherine D.,Galan, Adam A.. "Synthesis of 2,4(5)-Bis(hydroxymethyl)imidazoles and 2,4(5)-Bisimidazoles: Precursors of 2,4(5)-Connected Imidazole Crown Ethers". . p. 1256 - 1264. Retrieved 2007/10/02.