Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate

Base Information

Chemical Name:Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate
CAS No.:150097-92-0
Molecular Formula:C10H11 F5 N2 O2
Molecular Weight:286.2
Hs Code.:
DSSTox Substance ID:DTXSID80451435
Wikidata:Q82271458
Mol file:150097-92-0.mol

Synonyms:150097-92-0;Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate;Methyl 5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate;DTXSID80451435;BCIVUDCPEOVGBW-UHFFFAOYSA-N

Suppliers and Price of Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate

Chemical Property:

Boiling Point:354.5±42.0 °C(Predicted)
PKA:8.38±0.10(Predicted)
PSA：54.98000
Density:1.368±0.06 g/cm3(Predicted)
LogP:2.80290
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:286.07406841
Heavy Atom Count:19
Complexity:334

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC1=NC(=C(N1)C(C(F)(F)F)(F)F)C(=O)OC

Technology Process of Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-carboxylate

There total 8 articles about Methyl 5-(pentafluoroethyl)-2-propyl-1H-imidazole-4-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:

: C₁₀H₁₄F₅NO₂

: 150097-92-0
Methyl 4⁽⁵⁾-(pentafluoroethyl)-2-propylimidazole-5⁽⁴⁾-carboxylate

Guidance literature:: With sodium azide; [bis(acetoxy)iodo]benzene; potassium iodide; In dimethyl sulfoxide; at 20 ℃; for 2h;
DOI:10.1002/ejoc.201801310

Reference yield:

: 134051-69-7
2-Propyl-4⁽⁵⁾-(hydroxymethyl)-5⁽⁴⁾-iodoimidazole

: 150097-92-0
Methyl 4⁽⁵⁾-(pentafluoroethyl)-2-propylimidazole-5⁽⁴⁾-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1: 75 percent / MnO₂ / CH₂Cl₂ / 48 h / Heating

2: NH₂OH*HCl, pyridine / 2 h / Ambient temperature

3: acetic anhydride / 2 h / 60 °C

4: 84 percent / aq. H₂SO₄ / 66 h / Heating

5: 1.) Cu / 1.) DMSO, 110-120 deg C, 4 h, 2.) 65 deg C, 1 h

With pyridine; manganese(IV) oxide; sulfuric acid; hydroxylamine hydrochloride; acetic anhydride; copper; In dichloromethane;
DOI:10.1021/jo00069a029

Reference yield:

: 68282-39-3
2-Propyl-4⁽⁵⁾-(hydroxymethyl)imidazole

: 150097-92-0
Methyl 4⁽⁵⁾-(pentafluoroethyl)-2-propylimidazole-5⁽⁴⁾-carboxylate

Guidance literature:: Multi-step reaction with 6 steps

1: 77 percent / I₂, NaIO₄, 2.4 M aq. H₂SO₄ / methanol / 5 h / 70 °C

2: 75 percent / MnO₂ / CH₂Cl₂ / 48 h / Heating

3: NH₂OH*HCl, pyridine / 2 h / Ambient temperature

4: acetic anhydride / 2 h / 60 °C

5: 84 percent / aq. H₂SO₄ / 66 h / Heating

6: 1.) Cu / 1.) DMSO, 110-120 deg C, 4 h, 2.) 65 deg C, 1 h

With pyridine; manganese(IV) oxide; sodium periodate; sulfuric acid; hydroxylamine hydrochloride; iodine; acetic anhydride; copper; In methanol; dichloromethane;
DOI:10.1021/jo00069a029