2-Methylbenzofuran

Base Information

• Chemical Name: 2-Methylbenzofuran
• CAS No.: 4265-25-2
• Molecular Formula: C9H8O
• Molecular Weight: 132.162
• Hs Code.: 29329990
• European Community (EC) Number: 224-249-1
• UNII: 8X3183BZ3X
• DSSTox Substance ID: DTXSID40863353
• Nikkaji Number: J28.172G
• Wikidata: Q27161912
• Mol file: 4265-25-2.mol

Synonyms:2-METHYLBENZOFURAN;4265-25-2;2-Methyl-1-benzofuran;Benzofuran, 2-methyl-;2-Methylcumarone;2-methyl benzofuran;2-methyl-benzofuran;2-Methylbenzo[b]furan;UNII-8X3183BZ3X;8X3183BZ3X;EINECS 224-249-1;MFCD00005850;AI3-11240;methyl benzoxole;2-Methyl-1-benzofuran #;2-Methylbenzofuran, 96%;SCHEMBL12264;2- METHYLBENZO(B)FURAN;FEMA NO. 4543;CHEBI:89722;DTXSID40863353;AMY38188;AKOS015889444;CS-W013412;AC-37134;AS-56948;SY039830;FT-0635195;EN300-108850;F11695;A825974;Q27161912;Z1255386706

Chemical Property of 2-Methylbenzofuran

Chemical Property:

• Appearance/Colour: COLORLESS TO YELLOW LIQUID
• Vapor Pressure: 0.583mmHg at 25°C
• Melting Point: 161 °C
• Refractive Index: n20/D 1.560(lit.)
• Boiling Point: 195.616 °C at 760 mmHg
• Flash Point: 67.778 °C
• PSA: 13.14000
• Density: 1.078 g/cm³
• LogP: 2.74120
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.057514874
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

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

2-Methylbenzofuran ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=C2O1

Technology Process of 2-Methylbenzofuran

There total 129 articles about 2-Methylbenzofuran 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: 98.0%

1-benzofurane (271-89-6) + methyl iodide (74-88-4) → 2-methylbenzofuran (4265-25-2)

Guidance literature:

1-benzofurane; With tert.-butyl lithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201107811

Reference yield: 95.0%

o-Allylphenol (1745-81-9) → 2-methylbenzofuran (4265-25-2)

Guidance literature:

With copper diacetate; palladium dichloride; In N,N-dimethyl-formamide; at 100 ℃; for 1h;

DOI:10.1016/S0022-328X(98)00415-X

Reference yield: 93.0%

Triisopropyl-(2-prop-1-ynyl-phenoxy)-silane (199010-92-9) → 2-methylbenzofuran (4265-25-2)

Guidance literature:

With 4 A molecular sieve; cesium fluoride; In acetonitrile; at 50 ℃; for 18h;

DOI:10.1055/s-1997-999

upstream raw materials:

2-Furfuryl-phenol

2-(2,3-dibromopropyl)phenyl acetate

2-chloro-3-phenoxyprop-1-ene

1-(2-hydroxyphenyl)propan-2-one

Downstream raw materials:

2,3-dimethylbenzofuran

benzofuran-2-yl-methanol

benzofuran-2-carbaldehyde-phenylhydrazone

1-hydroxy-2-(prop-1-ynyl)benzene

Refernces

• 1、 Ming, Yong-Chao,Lv, Xue-Jiao,Liu, Ming,Liu, Yan-Kai. "Synthesis of Chiral Polycyclic Tetrahydrocarbazoles by Enantioselective Aminocatalytic Double Activation of 2-Hydroxycinnamaldehydes with Dienals". supporting information. p. 6515 - 6519. Retrieved 2021/09/02.
• 2、 Cheng, Zhenyu,Gao, Ting,Li, Hongfeng,Yan, Pengfei,Yao, Yuan,Zhang, Jianpeng,Zhou, Yanyan. "A light triggered optical and chiroptical switch based on a homochiral Eu2L3helicate". . p. 6788 - 6796. Retrieved 2020/06/03.