3-Ethoxy-3-phenyl-2-benzofuran-1(3H)-one

Base Information

• Chemical Name: 3-Ethoxy-3-phenyl-2-benzofuran-1(3H)-one
• CAS No.: 7498-89-7
• Molecular Formula: C₁₆H₁₄O₃
• Molecular Weight: 254.285
• NSC Number: 407597
• DSSTox Substance ID: DTXSID901276469
• ChEMBL ID: CHEMBL1559819
• Mol file: 7498-89-7.mol

Synonyms:3-Ethoxy-3-phenyl-2-benzofuran-1(3H)-one;7498-89-7;3-ethoxy-3-phenyl-2-benzofuran-1-one;NSC407597;NSC 407597;Oprea1_846681;MLS000701019;SCHEMBL3887315;CHEMBL1559819;DTXSID901276469;HMS1611N12;HMS2512D19;3-ethoxy-3-phenyl-isobenzofuran-1-one;NSC-407597;NCGC00247218-01;SMR000227503;3-Ethoxy-3-phenyl-1(3H)-isobenzofuranone;AK-968/36800061

Chemical Property of 3-Ethoxy-3-phenyl-2-benzofuran-1(3H)-one

Chemical Property:

• Vapor Pressure: 4.06E-07mmHg at 25°C
• Boiling Point: 415.6°C at 760 mmHg
• Flash Point: 176.5°C
• PSA: 35.53000
• Density: 1.23g/cm³
• LogP: 3.09460
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3

Technology Process of 3-Ethoxy-3-phenyl-2-benzofuran-1(3H)-one

There total 2 articles about 3-Ethoxy-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:

2-Benzoylbenzoic acid (85-52-9) → 3-Ethoxy-3-phenyl-phthalid (7498-89-7)

Guidance literature:

With thionyl chloride; Behandeln des Chlorids mit absol. Alkohol und anschliessend mit Soda;

DOI:10.1007/BF01517745

Reference yield:

ethanol (64-17-5) + 3-chloro-3-phenylphthalide (18852-53-4) → 3-Ethoxy-3-phenyl-phthalid (7498-89-7)

Guidance literature:

In acetone; at 25 ℃; Rate constant; 10percent (v/v);

Reference yield:

ethyl bromide (74-96-4) + 3-Ethoxy-3-phenyl-phthalid (7498-89-7) → o-(α-Ethoxy-α-ethyl-benzyl)-benzoesaeure (15222-34-1)

Guidance literature:

Multistep reaction; (i) Mg, CdCl₂, Et₂O, (ii) /BRN= 227468/, benzene;

DOI:10.1016/S0022-328X(00)91051-9

upstream raw materials:

2-Benzoylbenzoic acid

ethanol

3-chloro-3-phenylphthalide

Downstream raw materials:

o-(α-Ethoxy-α-ethyl-benzyl)-benzoesaeure

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