5-Methylbenzofuran

Base Information

• Chemical Name: 5-Methylbenzofuran
• CAS No.: 18441-43-5
• Molecular Formula: C9H8 O
• Molecular Weight: 132.162
• Hs Code.: 2932999099
• European Community (EC) Number: 242-318-4
• UNII: GLM9ZJ1WW7
• DSSTox Substance ID: DTXSID90171571
• Nikkaji Number: J266.176D
• Wikidata: Q83041653
• Mol file: 18441-43-5.mol

Synonyms:5-Methylbenzofuran;18441-43-5;5-methyl-1-benzofuran;Benzofuran, 5-methyl-;5-methyl-benzofuran;GLM9ZJ1WW7;EINECS 242-318-4;MFCD00138124;5-methylbenzo[b]furan;5-methyl-benzo[b]furan;UNII-GLM9ZJ1WW7;SCHEMBL172397;DTXSID90171571;AC2085;AKOS006275454;MB00739;CS-11213;SY009697;CS-0309087;FT-0710831;EN300-156048;Z1198151070

Chemical Property of 5-Methylbenzofuran

Chemical Property:

• Vapor Pressure: 0.569mmHg at 25°C
• Refractive Index: 1.5570
• Boiling Point: 224.5°Cat760mmHg
• Flash Point: 89.4°C
• PSA: 13.14000
• Density: 1.052g/cm³
• LogP: 2.74120
• Storage Temp.: Sealed in dry,Room Temperature
• 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%min ^*data from raw suppliers

5-Methylbenzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC=C2

Technology Process of 5-Methylbenzofuran

There total 22 articles about 5-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: 93.0%

1-(2,2-diethoxyethoxy)-4-methylbenzene (66614-56-0) → 5-methylbenzofuran (18441-43-5)

Guidance literature:

With tin-exchanged H-b zeolite (Sn-b); for 0.5h; Reflux;

DOI:10.1016/j.tet.2015.05.029

Reference yield: 88.0%

4-methyl-2-(1-propenyl)-1-vinyloxybenzene → 5-methylbenzofuran (18441-43-5)

Guidance literature:

With Grubbs catalyst first generation; In dichloromethane; at 20 ℃; for 8h;

DOI:10.1002/jccs.200400190

Reference yield: 71.0%

dimethoxyacetaldehyde (51673-84-8) + 4-hydroxy-4-methylcyclohexanone (17429-02-6,75640-25-4) → 5-methylbenzofuran (18441-43-5)

Guidance literature:

4-hydroxy-4-methylcyclohexanone; With tributyl-amine; titanium tetrachloride; In dichloromethane; at -35 ℃;

dimethoxyacetaldehyde; In dichloromethane; at -35 - 20 ℃;

DOI:10.1016/j.tetlet.2019.03.037

upstream raw materials:

1-(2,2-diethoxyethoxy)-4-methylbenzene

2-formyl-4-methylphenoxyacetic acid

2-<2-hydroxy-1-(isopropylthio)ethyl>-p-cresol

2-nitrofuran

Downstream raw materials:

5-(bromomethyl)benzofuran

5-bromomethyl-benzo[b]thiophene

5-methyl-2-phenyl-1,3-benzoxazole

5-methyl-2-(2-methylphenyl)-1,3-benzoxazole

Refernces

• 1、 -. "THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION". Paragraph 0448-0449. . Retrieved 2019/02/13.
• 2、 Vargas, David A.,Khade, Rahul L.,Zhang, Yong,Fasan, Rudi. "Biocatalytic Strategy for Highly Diastereo- and Enantioselective Synthesis of 2,3-Dihydrobenzofuran-Based Tricyclic Scaffolds". supporting information. p. 10148 - 10152. Retrieved 2019/07/04.