(4-Methyl-1,2,5-oxadiazol-3-yl)methanol

Base Information

• Chemical Name: (4-Methyl-1,2,5-oxadiazol-3-yl)methanol
• CAS No.: 78441-74-4
• Molecular Formula: C4H6N2O2
• Molecular Weight: 114.10300
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20365486
• Wikidata: Q82150202
• Mol file: 78441-74-4.mol

Synonyms:(4-methyl-1,2,5-oxadiazol-3-yl)methanol;78441-74-4;3-(Hydroxymethyl)-4-methyl-1,2,5-oxadiazole;SCHEMBL9209123;3-Hydroxymethyl-4-methylfurazan;DTXSID20365486;SOLPMMNZIDPBSI-UHFFFAOYSA-N;MFCD00456449;STL570278;AKOS013153970;PS-5549;CS-0080397;EN300-78848;D74169;Z1188433422

Chemical Property of (4-Methyl-1,2,5-oxadiazol-3-yl)methanol

Chemical Property:

• Boiling Point: 229.1±32.0 °C(Predicted)
• PKA: 12.57±0.10(Predicted)
• PSA: 59.15000
• Density: 1.285±0.06 g/cm3(Predicted)
• LogP: -0.12970
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 114.042927438
• Heavy Atom Count: 8
• Complexity: 78.4

Purity/Quality:

97% ^*data from raw suppliers

3-(Hydroxymethyl)-4-methyl-1,2,5-oxadiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NON=C1CO

Technology Process of (4-Methyl-1,2,5-oxadiazol-3-yl)methanol

There total 3 articles about (4-Methyl-1,2,5-oxadiazol-3-yl)methanol 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:

4-methyl-1,2,5-oxadiazole-3-carboxylic acid (58677-34-2) → 3-(hydroxymethyl)-4-methyl-1,2,5-oxadiazole (78441-74-4)

Guidance literature:

With hydrogenchloride; borane; In tetrahydrofuran;

Reference yield:

3-(bromomethyl)-4-methyl-1,2,5-oxadiazole (90507-32-7) → 3-(hydroxymethyl)-4-methyl-1,2,5-oxadiazole (78441-74-4)

Guidance literature:

With potassium carbonate; In water; at 90 ℃; for 1.5h;

DOI:10.1021/jm00375a021

Reference yield:

C7H8N2O5 → 3-(hydroxymethyl)-4-methyl-1,2,5-oxadiazole (78441-74-4)

Guidance literature:

With sodium tetrahydroborate; In water;

upstream raw materials:

3-(bromomethyl)-4-methyl-1,2,5-oxadiazole

4-methyl-1,2,5-oxadiazole-3-carboxylic acid

Downstream raw materials:

3-formyl-4-methyl-1,2,5-oxadiazole