1-Allylimidazole

Base Information

• Chemical Name: 1-Allylimidazole
• CAS No.: 31410-01-2
• Molecular Formula: C6H8N2
• Molecular Weight: 108.143
• Hs Code.: 29332900
• European Community (EC) Number: 250-618-1
• UNII: M6Y3FS79AQ
• DSSTox Substance ID: DTXSID30185339
• Nikkaji Number: J109.519F
• Wikidata: Q72437289
• Mol file: 31410-01-2.mol

Synonyms:1-Allylimidazole;31410-01-2;1-Allyl-1H-imidazole;1-prop-2-enylimidazole;1-(prop-2-en-1-yl)-1H-imidazole;1H-Imidazole, 1-(2-propenyl)-;N-Allylimidazole;Imidazole, 1-allyl-;EINECS 250-618-1;M6Y3FS79AQ;1-allyl imidazole;ALLYLIMIDAZOLE;1-Allyl-1H-imidazole #;UNII-M6Y3FS79AQ;SCHEMBL83887;DTXSID30185339;BBL027934;MFCD00037894;STL373445;AKOS000120407;AS-12574;CS-0157993;FT-0607307;EN300-20278;C93464;W-106905;Z104477560;6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one2,2-dioxide

Chemical Property of 1-Allylimidazole

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.0324mmHg at 25°C
• Refractive Index: n20/D 1.505(lit.)
• Boiling Point: 251.496 °C at 760 mmHg
• PKA: 6.80±0.10(Predicted)
• Flash Point: 101.111 °C
• PSA: 17.82000
• Density: 0.941 g/cm³
• LogP: 1.06910
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: It is soluble in water.
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 108.068748264
• Heavy Atom Count: 8
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

1-Allylimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45-25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Imidazoles
• Canonical SMILES: C=CCN1C=CN=C1
• Uses: 1-Allylimidazole, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 1-Allylimidazole

There total 12 articles about 1-Allylimidazole 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: 99.0%

1H-imidazole (288-32-4) + vinyl benzoate (583-04-0) → 1-allylimidazole (31410-01-2)

Guidance literature:

With briphos; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In dichloromethane; at 30 ℃; for 12h;

DOI:10.1021/acs.orglett.6b00001

Reference yield: 96.0%

1H-imidazole (288-32-4) + allyl alcohol (107-18-6) → 1-allylimidazole (31410-01-2)

Guidance literature:

With 2,3,4,5,6-pentafluorophenol; briphos; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In dichloromethane; at 30 ℃; for 6h; Concentration; Solvent; Reagent/catalyst; Kinetics; Inert atmosphere;

DOI:10.1021/acs.orglett.6b00001

Reference yield: 94.6%

→ 1-allylimidazole (31410-01-2)

Guidance literature:

upstream raw materials:

1H-imidazole

allyl bromide

3-chloroprop-1-ene

formaldehyd

Downstream raw materials:

1H-imidazole

3-allyl-1-methyl-1H-imidazol-3-ium bromide

1-allyl-3-ethylimidazolium bromide

1-allyl-1H-imidazole-2-carboxaldehyde