7-Methyl-2-benzofurancarboxaldehyde

Base Information

• Chemical Name: 7-Methyl-2-benzofurancarboxaldehyde
• CAS No.: 57897-70-8
• Molecular Formula: C10H8O2
• Molecular Weight: 160.17
• UNII: 9GWD3SYT6Q
• DSSTox Substance ID: DTXSID801294793
• Metabolomics Workbench ID: 49228
• Mol file: 57897-70-8.mol

Synonyms:57897-70-8;7-METHYL-2-BENZOFURANCARBOXALDEHYDE;7-methylbenzofuran-2-carbaldehyde;7-methyl-1-benzofuran-2-carbaldehyde;2-Benzofurancarboxaldehyde, 7-methyl-;2-BENZOFURANCARBOXALDEHYDE, 7-METHYL-;9GWD3SYT6Q;7-Methylbenzofuran-2-aldehyde;7Methyl-benzofuran-2-aldehyde;7-methyl-benzofuran-2-aldehyde;SCHEMBL9550366;7 -Methyl-benzofuran-2-aldehyde;JXPVJVSXZDJGIZ-UHFFFAOYSA-N;DTXSID801294793;7-methyl-benzofuran-2-carbaldehyde;AKOS002679703;MB09961

Chemical Property of 7-Methyl-2-benzofurancarboxaldehyde

Chemical Property:

• PSA: 30.21000
• LogP: 2.55370
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.052429494
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C=C(O2)C=O

Technology Process of 7-Methyl-2-benzofurancarboxaldehyde

There total 10 articles about 7-Methyl-2-benzofurancarboxaldehyde 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: 85.0%

(2-formyl-6-methylphenoxy)acetaldehyde diethyl acetal (179728-47-3) → 7-methyl-2-benzofurancarboxaldehyde (57897-70-8)

Guidance literature:

With acetic acid; for 24h; Heating;

DOI:10.1016/0223-5234(96)85165-8

Reference yield: 68.0%

ethyl 7-methyl-1-benzofuran-2-carboxylate (53715-90-5) → 7-methyl-2-benzofurancarboxaldehyde (57897-70-8)

Guidance literature:

ethyl 7-methyl-1-benzofuran-2-carboxylate; With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 3h;

With Dess-Martin periodane; In dichloromethane;

DOI:10.1039/c6ob02569b

Reference yield:

7-methylbenzofuran (17059-52-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 7-methyl-2-benzofurancarboxaldehyde (57897-70-8)

Guidance literature:

7-methylbenzofuran; With n-butyllithium; In tetrahydrofuran; hexane; at -30 ℃; for 0.25h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -30 - 20 ℃; for 0.5h; Further stages.;

DOI:10.1021/jm000098s

upstream raw materials:

(2-formyl-6-methylphenoxy)acetaldehyde diethyl acetal

7-methylbenzofuran

N,N-dimethyl-formamide

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

Downstream raw materials:

4-[5-(7-methyl-benzofuran-2-yl)-1H-pyrrol-2-yl]-benzoic acid methyl ester

4-[4-(7-methyl-benzofuran-2-yl)-4-oxo-butyryl]-benzoic acid methyl ester