3-Methyl-3-naphthalen-2-yl-2-benzofuran-1-one

Base Information

• Chemical Name: 3-Methyl-3-naphthalen-2-yl-2-benzofuran-1-one
• CAS No.: 107796-84-9
• Molecular Formula: C19H14O2
• Molecular Weight: 274.31
• NSC Number: 74895
• DSSTox Substance ID: DTXSID10291326
• Mol file: 107796-84-9.mol

Synonyms:107796-84-9;3-Methyl-3-(1-naphthyl)phthalide;3-methyl-3-naphthalen-2-yl-2-benzofuran-1-one;NSC74895;3-Methyl-3-(2-naphthyl)-2-benzofuran-1(3H)-one;3-Methyl-3-(naphthalen-2-yl)isobenzofuran-1(3H)-one;SCHEMBL7855291;DTXSID10291326;NSC-74895;3-methyl-3-(2-naphthyl)isobenzofuran-1-one;FT-0671984

Chemical Property of 3-Methyl-3-naphthalen-2-yl-2-benzofuran-1-one

Chemical Property:

• Melting Point: 126-128 °C
• Boiling Point: 478.2±44.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.231±0.06 g/cm3(Predicted)
• LogP: 4.27370
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 274.099379685
• Heavy Atom Count: 21
• Complexity: 418

Purity/Quality:

96% ^*data from raw suppliers

3-Methyl-3-(1-naphthyl)phthalide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2C(=O)O1)C3=CC4=CC=CC=C4C=C3
• Uses: 3-Methyl-3-(1-naphthyl)phthalide (cas# 107796-84-9) is a compound useful in organic synthesis.

Technology Process of 3-Methyl-3-naphthalen-2-yl-2-benzofuran-1-one

There total 1 articles about 3-Methyl-3-naphthalen-2-yl-2-benzofuran-1-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: 92.0%

2-[2]naphthoyl-benzoic acid (38119-03-8) + methylmagnesium bromide (75-16-1) → 3-(2-naphthyl)-3-methylphthalide (107796-84-9)

Guidance literature:

In tetrahydrofuran; at -78 - 25 ℃; for 1h;

DOI:10.1021/jo00390a012

Reference yield:

3-(2-naphthyl)-3-methylphthalide (107796-84-9) → (R)-2-[(R)-3-Methyl-3-naphthalen-2-yl-3H-isobenzofuran-(1Z)-ylideneamino]-2-phenyl-ethanol

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / Lawesson's reagent / toluene / 12 h / Heating

2: mercuric trifluoroacetate / tetrahydrofuran / 0.5 h / Ambient temperature

With Lawessons reagent; mercury(II) trifluoroacetate; In tetrahydrofuran; toluene;

DOI:10.1021/jo00390a012

Reference yield:

3-(2-naphthyl)-3-methylphthalide (107796-84-9) → (R)-2-[(S)-3-Methyl-3-naphthalen-2-yl-3H-isobenzofuran-(1Z)-ylideneamino]-2-phenyl-ethanol

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / Lawesson's reagent / toluene / 12 h / Heating

2: mercuric trifluoroacetate / tetrahydrofuran / 0.5 h / Ambient temperature

With Lawessons reagent; mercury(II) trifluoroacetate; In tetrahydrofuran; toluene;

DOI:10.1021/jo00390a012

upstream raw materials:

2-[2]naphthoyl-benzoic acid

methylmagnesium bromide

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