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

Base Information

• Chemical Name: 4-(5-Methyl-1,2,4-oxadiazol-3-yl)phenol
• CAS No.: 49787-02-2
• Molecular Formula: C9H8N2O2
• Molecular Weight: 176.175
• Hs Code.: 2934999090
• European Community (EC) Number: 825-612-2
• DSSTox Substance ID: DTXSID70421945
• Mol file: 49787-02-2.mol

Synonyms:4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol;49787-02-2;Phenol, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-;SCHEMBL1128734;DTXSID70421945;CUCWKDHLIRIVLB-UHFFFAOYSA-N;MFCD06655819;AKOS002681175;BS-14109;CS-0452962;4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenol;4-(5-Methyl-1,2,4-oxadiazol-3-yl)-phenol;EN300-13373;4-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenol;J-513599;Z90124429;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 227.9°Cat760mmHg
• Flash Point: 91.6°C
• PSA: 58.89000
• Density: 1.32g/cm³
• LogP: 0.43800
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 176.058577502
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

98% ^*data from raw suppliers

4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NO1)C2=CC=C(C=C2)O

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

There total 13 articles about 4-(5-Methyl-1,2,4-oxadiazol-3-yl)phenol 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: 84.0%

methyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl ether (5311-71-7) → 4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol (49787-02-2)

Guidance literature:

With boron tribromide; In dichloromethane; at 20 ℃; for 72h;

DOI:10.1016/S0928-0987(02)00024-6

Reference yield: 65.0%

acetyl chloride (75-36-5) + (Z)-N',4-dihydroxybenzimidamide (1219626-47-7) → 4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol (49787-02-2)

Guidance literature:

With pyridine; at 0 - 120 ℃; for 16h;

DOI:10.1021/acsmedchemlett.8b00134

Reference yield:

C14H10N2O3S → 4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol (49787-02-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; at 40 ℃;

DOI:10.1002/anie.202108971

upstream raw materials:

N',4-dihydroxybenzamidine

acetic anhydride

acetyl chloride

N,4-dihydroxybenzene-1-carboxyimidamide

Downstream raw materials:

2-methyl-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propionic acid

5-Methyl-3-(4-oxiranylmethoxy-phenyl)-[1,2,4]oxadiazole

2-O-[4'-(5''-methyl[1,2,4]oxadiazol-3''-yl)phenyl]-5-O-[4'''-(2''''-methylsulfonylphenyl)phenyl]-1,4:3,6-dianhydro-D-sorbitole

2-O-[4'-(5''-methyl[1,2,4]oxadiazol-3''-yl)phenyl]-5-O-[4'''-(piperidin-2''''-on-1''''-yl)phenyl]-1,4:3,6-dianhydro-D-sorbitole