3-Methoxy-4,7-dimethyl-3-phenyl-2-benzofuran-1(3h)-one

Base Information

• Chemical Name: 3-Methoxy-4,7-dimethyl-3-phenyl-2-benzofuran-1(3h)-one
• CAS No.: 72181-93-2
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.312
• NSC Number: 59927
• DSSTox Substance ID: DTXSID60289238

Synonyms:72181-93-2;3-Methoxy-4,7-dimethyl-3-phenylisobenzofuran-1(3H)-one;3-methoxy-4,7-dimethyl-3-phenyl-2-benzofuran-1(3h)-one;NSC59927;NCIOpen2_002557;DTXSID60289238;NSC-59927

Chemical Property of 3-Methoxy-4,7-dimethyl-3-phenyl-2-benzofuran-1(3h)-one

Chemical Property:

• Vapor Pressure: 5.31E-08mmHg at 25°C
• Boiling Point: 441.7°Cat760mmHg
• Flash Point: 188.9°C
• Density: 1.2g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 268.109944368
• Heavy Atom Count: 20
• Complexity: 374

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1)C)C(OC2=O)(C3=CC=CC=C3)OC

Technology Process of 3-Methoxy-4,7-dimethyl-3-phenyl-2-benzofuran-1(3h)-one

There total 5 articles about 3-Methoxy-4,7-dimethyl-3-phenyl-2-benzofuran-1(3h)-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:

3,6-dimethyl phthalic anhydride (5463-50-3) → 3-methoxy-4,7-dimethyl-3-phenyl-3H-isobenzofuran-1-one (72181-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene; diethyl ether

2: thionyl chloride / Behandeln des Reaktionsprodukts mit Methanol und Pyridin

With thionyl chloride; diethyl ether; benzene;

DOI:10.1021/ja01233a021

Reference yield:

2-benzoyl-3,6-dimethyl-benzoic acid (2346-61-4) → 3-methoxy-4,7-dimethyl-3-phenyl-3H-isobenzofuran-1-one (72181-93-2)

Guidance literature:

With thionyl chloride; Behandeln des Reaktionsprodukts mit Methanol und Pyridin;

DOI:10.1021/ja01233a021

Reference yield:

phenylmagnesium bromide → 3-methoxy-4,7-dimethyl-3-phenyl-3H-isobenzofuran-1-one (72181-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene; diethyl ether

2: thionyl chloride / Behandeln des Reaktionsprodukts mit Methanol und Pyridin

With thionyl chloride; diethyl ether; benzene;

DOI:10.1021/ja01233a021

upstream raw materials:

2-benzoyl-3,6-dimethyl-benzoic acid

hydrogenchloride

methanol

3,6-dimethyl phthalic anhydride

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