7-Methoxybenzofuran-3(2H)-one

Base Information

• Chemical Name: 7-Methoxybenzofuran-3(2H)-one
• CAS No.: 7169-37-1
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40384735
• Nikkaji Number: J637.544H
• Wikidata: Q82177068
• Mol file: 7169-37-1.mol

Synonyms:7-Methoxybenzofuran-3(2H)-one;7169-37-1;7-Methoxy-3(2H)-benzofuranone;7-methoxy-1-benzofuran-3-one;7-Methoxy-3-Benzofuranone;7-methoxy-1-benzofuran-3(2H)-one;7-methoxy-3-(2H)-benzofuranone;MFCD00274296;7-methoxy-benzofuran-3-one;7-METHOXYBENZOFURAN-3-ONE;4-Fluoro-3-Benzofuranone;3(2H)-Benzofuranone, 7-methoxy-;7-Methoxycoumaranone;Maybridge1_004379;SCHEMBL74333;HMS553P03;DTXSID40384735;QSJBSTJSAZCHSA-UHFFFAOYSA-N;7-methoxy-benzofuran-3 (2H)-one;CCG-43119;AKOS000224035;MB01147;7-Methoxy-3(2H)-benzofuranone, 98%;7-METHOXY-BENZOFURAN-3(2H)-ONE;AS-47501;FT-0636380;EN300-109203;F13956;A837292;7-METHOXY-2,3-DIHYDRO-1-BENZOFURAN-3-ONE;J-519287;SR-01000633065-1;InChI=1/C9H8O3/c1-11-8-4-2-3-6-7(10)5-12-9(6)8/h2-4H,5H2,1H

Chemical Property of 7-Methoxybenzofuran-3(2H)-one

Chemical Property:

• Melting Point: 82-86 °C(lit.)
• Boiling Point: 300.8 °C at 760 mmHg
• Flash Point: 126.6 °C
• PSA: 35.53000
• Density: 1.262 g/cm³
• LogP: 1.27030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.047344113
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-Methoxy-3(2H)-benzofuranone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1OCC2=O
• Uses: 7-Methoxy-3(2H)-Benzofuranone is a useful reactant for the synthesis of 2-?(2-?hydroxypropan-?2-?yl)?benzofuran-?3(2H)?-?ones using a basic Al2O3 catalyst.

Technology Process of 7-Methoxybenzofuran-3(2H)-one

There total 10 articles about 7-Methoxybenzofuran-3(2H)-one 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: 96.0%

2-ethynyl-6-methoxyphenol → 7-methoxy-3-benzofuranone (7169-37-1)

Guidance literature:

With pyridine N-oxide; mercuric triflate; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 79.0%

7-methoxy-3-acetoxybenzofuran → 7-methoxy-3-benzofuranone (7169-37-1)

Guidance literature:

With hydrogenchloride; In methanol; at 75 ℃; for 3.5h;

DOI:10.1080/00397919508013429

Reference yield: 27.0%

(2-methoxyphenoxy)acetic acid (1878-85-9) → 7-methoxy-3-benzofuranone (7169-37-1)

Guidance literature:

(2-methoxyphenoxy)acetic acid; With thionyl chloride; acetic acid; at 20 ℃; for 4h; Reflux; Inert atmosphere;

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.02.048

upstream raw materials:

2,3-Dimethoxy-ω-diazo-acetophenon

2-Chloro-1-(2-hydroxy-3-methoxy-phenyl)-ethanone

2-methoxy-phenol

2,3-dimethoxybenzoic acid

Downstream raw materials:

benzofuran-2-carboxamide

C₂₁H₁₉BrO₄

C₂₁H₂₀O₄

(Z)-2-(2-(allyloxy)benzylidene)-7-methoxybenzofuran-3(2H)-one

Refernces

• 1、 Dai, Ning,Hu, Weican,Qian, Guoying,Rong, Zhouting. "A Hg(OTf)2-Catalyzed Enolate Umpolung Reaction Enables the Synthesis of Coumaran-3-ones and Indolin-3-ones". supporting information. p. 3286 - 3290. Retrieved 2020/04/21.
• 2、 Rambabu,Srinivas,Manjulatha, Khanapur,Basavoju, Srinivas,Basaveswara Rao,Pal, Manojit. "Synthesis and structural characterization of 2-benzylidenebenzofuran-3-(2 H)-ones". . p. 83 - 94. Retrieved 2013/08/23.