Prop-1-en-2-yl 1H-imidazole-1-carboxylate

Base Information

• Chemical Name: Prop-1-en-2-yl 1H-imidazole-1-carboxylate
• CAS No.: 83395-39-5
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID70699788
• Mol file: 83395-39-5.mol

Synonyms:DTXSID70699788;Prop-1-en-2-yl 1H-imidazole-1-carboxylate

Chemical Property of Prop-1-en-2-yl 1H-imidazole-1-carboxylate

Chemical Property:

• Refractive Index: n20/D1.494
• Flash Point: >110℃
• PSA: 44.12000
• Density: 1.146 g/mL at 25 °C
• LogP: 1.40140
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

Allyl 1H-imidazole-1-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)OC(=O)N1C=CN=C1
• Uses: Allyl 1H-imidazole-1-carboxylate can be used:To prepare allyl enol carbonate derivatives by reacting with ketone enolates and boron trifluoride etherate.In the acylation of a mixture of primary and secondary alcohols.

Technology Process of Prop-1-en-2-yl 1H-imidazole-1-carboxylate

There total 3 articles about Prop-1-en-2-yl 1H-imidazole-1-carboxylate 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: 96.0%

allyl alcohol (107-18-6) + 1,1'-carbonyldiimidazole (530-62-1) → 2-propen-1-yl 1H-imidazole-1-carboxylate (83395-39-5)

Guidance literature:

In tetrahydrofuran; dichloromethane; at 0 ℃; for 2h;

DOI:10.1021/jo7016313

Reference yield: 94.0%

1H-imidazole (288-32-4) + phosgene (75-44-5) + allyl alcohol (107-18-6) → 2-propen-1-yl 1H-imidazole-1-carboxylate (83395-39-5)

Guidance literature:

phosgene; allyl alcohol; at -5 - 5 ℃; Flow reactor;

1H-imidazole; With triethylamine; In dichloromethane; for 3.5h; Temperature; Inert atmosphere; Reflux;

Reference yield: 94.0%

1H-imidazole (288-32-4) + Allyl chloroformate (2937-50-0) → 2-propen-1-yl 1H-imidazole-1-carboxylate (83395-39-5)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/ol1018882

upstream raw materials:

allyl alcohol

1,1'-carbonyldiimidazole

1H-imidazole

Allyl chloroformate

Downstream raw materials:

1-allylimidazole

1-(prop-2-enyl)-1,2-dihydropyridine-2-one

allyl 2-(4-bromophenyl)acetate

18(O)-allyl benzoate

Refernces

• 1、 -. "Synthesis method of imidazole additive". Paragraph 0026-0034. . Retrieved 2021/05/12.
• 2、 -. "NANOPARTICLES FOR DRUG DELIVERY". Page/Page column 41; 42. . Retrieved 2016/04/20.