(3-Methyl-1-benzofuran-2-yl)methanol

Base Information

• Chemical Name: (3-Methyl-1-benzofuran-2-yl)methanol
• CAS No.: 55581-62-9
• Molecular Formula: C10H10O2
• Molecular Weight: 162.19
• DSSTox Substance ID: DTXSID101307660
• Nikkaji Number: J2.652.049E
• Mol file: 55581-62-9.mol

Synonyms:55581-62-9;(3-methyl-1-benzofuran-2-yl)methanol;2-(Hydroxymethyl)-3-methylbenzofuran;(3-methylbenzofuran-2-yl)methanol;3-Methyl-2-benzofuranmethanol;3-Methylbenzofuran-2-methanol;SCHEMBL2256874;BPIHBHUOKWCMGZ-UHFFFAOYSA-N;DTXSID101307660;AC6351;MFCD15146108;(3-methyl-benzofuran-2-yl)-methanol;AKOS015968027;SY045663;CS-0021445;EN300-77956;Z1202142721

Chemical Property of (3-Methyl-1-benzofuran-2-yl)methanol

Chemical Property:

• Melting Point: 84-85 °C
• Boiling Point: 298.8±25.0 °C(Predicted)
• PKA: 14.05±0.10(Predicted)
• PSA: 33.37000
• Density: 1.188±0.06 g/cm3(Predicted)
• LogP: 2.23350
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

3-Methylbenzofuran-2-methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=CC=CC=C12)CO
• Uses: 3-Methylbenzofuran-2-methanol acts as a reagent in the synthesis and evaluation of 2-pyridone derivatives as H1V-1 specific reverse transcriptase inhibitors, preparation of quinoxaline-2-carboxamides as antidiabetics.

Technology Process of (3-Methyl-1-benzofuran-2-yl)methanol

There total 11 articles about (3-Methyl-1-benzofuran-2-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: 87.0%

methyl 3-methylbenzofuran-2-carboxylate (2076-36-0) → 2-(hydroxymethyl)-3-methylbenzofuran (55581-62-9)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; hexane; for 1h; Ambient temperature;

DOI:10.1021/jm00099a007

Reference yield: 83.0%

3-methyl-2-methylene-2,3-dihydro-1-benzofuran-3-ol (1060728-85-9) → 2-(hydroxymethyl)-3-methylbenzofuran (55581-62-9)

Guidance literature:

With sulfuric acid; water; In 1,2-dimethoxyethane; at 25 ℃; for 15h; Inert atmosphere;

DOI:10.1021/jo801444n

Reference yield: 71.0%

Triisopropylsilyl 3-(triisopropylsilylmethyl)benzofuran-2-carboxylate (136811-46-6) → 2-(hydroxymethyl)-3-methylbenzofuran (55581-62-9) + {3-[(Triisopropylsilanyl)-methyl]-benzofuran-2-yl}-methanol (136811-47-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 0.25h;

DOI:10.1039/P19960002827

upstream raw materials:

methyl 3-methylbenzofuran-2-carboxylate

3-[(Triisopropylsilanyl)-methyl]-benzofuran-2-carboxylic acid methyl ester

Triisopropylsilyl 3-(triisopropylsilylmethyl)benzofuran-2-carboxylate

3-methyl-1-benzofuran-2-carboxylic acid

Downstream raw materials:

2a,7b-Dihydro-2a-(hydroxymethyl)-7b-methyl-1,2-dioxeto<3,4-b>benzofuran

3-methylbenzofuran-2-carboxaldehyde

2-(4-Chlorophenylcarbamoyloxymethyl)-3-methylbenzofuran

2-<4-(Dimethylamino)phenylcarbonyloxymethyl>-3-methylbenzofuran