(5-Methoxy-1-benzofuran-2-yl)methanol

Base Information

• Chemical Name: (5-Methoxy-1-benzofuran-2-yl)methanol
• CAS No.: 37603-26-2
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60569340
• Nikkaji Number: J2.652.051G
• Wikidata: Q82456467
• Mol file: 37603-26-2.mol

Synonyms:(5-methoxy-1-benzofuran-2-yl)methanol;37603-26-2;(5-methoxybenzofuran-2-yl)methanol;SCHEMBL119001;F2147-0201;DTXSID60569340;ZTGZJYZILIDGMD-UHFFFAOYSA-N;5-Methoxy-2-hydroxymethylbenzofuran;AKOS005208280;CS-0062603;EN300-77405;D73265

Chemical Property of (5-Methoxy-1-benzofuran-2-yl)methanol

Chemical Property:

• Melting Point: 70-71 °C(Solv: heptane (142-82-5))
• Boiling Point: 315.9±27.0 °C(Predicted)
• PKA: 13.89±0.10(Predicted)
• PSA: 42.60000
• Density: 1.235±0.06 g/cm3(Predicted)
• LogP: 1.93370
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

NLT 98% ^*data from raw suppliers

(5-METHOXY-1-BENZOFURAN-2-YL)METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)OC(=C2)CO

Technology Process of (5-Methoxy-1-benzofuran-2-yl)methanol

There total 1 articles about (5-Methoxy-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: 39.0%

2-chloro-4-methoxyphenol (18113-03-6) + propargyl alcohol (107-19-7) → 4-methoxy-phenol (150-76-5) + 2-(hydroxymethyl)-5-methoxy-benzo[b]furan (37603-26-2)

Guidance literature:

In water; acetone; acetonitrile; for 24h; Inert atmosphere; Photolysis;

DOI:10.1021/jo3010183

Reference yield: 67.0%

2-(hydroxymethyl)-5-methoxy-benzo[b]furan (37603-26-2) → 5-methoxy-1-benzofuran-2-carbaldehyde (23145-19-9)

Guidance literature:

With manganese(IV) oxide; In ethyl acetate; at 20 ℃; for 26h;

Reference yield:

2-(hydroxymethyl)-5-methoxy-benzo[b]furan (37603-26-2) → 2-<2-(4-chlorophenyl)ethenyl>-5-benzofuranol (139201-63-1,139201-65-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 60 percent / MnO₂ / ethyl acetate / 3 h / Ambient temperature

2: 1.) NaOEt / 1.) 0 deg C, 30 min, 2.) 0 deg C, 3 h

3: 76 percent / BBr₃ / CH₂Cl₂ / 1 h / -78 °C

With manganese(IV) oxide; sodium ethanolate; boron tribromide; In dichloromethane; ethyl acetate;

DOI:10.1021/jm00085a019

upstream raw materials:

2-chloro-4-methoxyphenol

propargyl alcohol

Downstream raw materials:

5-methoxy-1-benzofuran-2-carbaldehyde

2-<2-(4-chlorophenyl)ethenyl>-5-benzofuranol

2-<2-(4-chlorophenyl)ethenyl>-5-methoxybenzofuran

2-<2-(4-chlorophenyl)ethyl>-2,3-dihydro-5-benzofuranol