1(3h)-Isobenzofuranone, 3-(cyclohexyloxy)-3-phenyl-

Base Information

• Chemical Name: 1(3h)-Isobenzofuranone, 3-(cyclohexyloxy)-3-phenyl-
• CAS No.: 33632-03-0
• Molecular Formula: C₂₀H₂₀O₃
• Molecular Weight: 308.377
• NSC Number: 59951
• DSSTox Substance ID: DTXSID30289245
• ChEMBL ID: CHEMBL1340104
• Mol file: 33632-03-0.mol

Synonyms:33632-03-0;3-(cyclohexyloxy)-3-phenyl-2-benzofuran-1(3H)-one;1(3h)-isobenzofuranone, 3-(cyclohexyloxy)-3-phenyl-;NSC59951;CBMicro_020361;ChemDiv1_025771;Oprea1_627462;MLS000575615;CHEMBL1340104;HMS660D09;DTXSID30289245;HMS2433H17;CCG-8079;NSC-59951;STK723468;AKOS001746198;SMR000185755;BIM-0020192.P001;SR-01000524332;SR-01000524332-1;3-(CYCLOHEXYLOXY)-3-PHENYL-1,3-DIHYDRO-2-BENZOFURAN-1-ONE

Chemical Property of 1(3h)-Isobenzofuranone, 3-(cyclohexyloxy)-3-phenyl-

Chemical Property:

• Vapor Pressure: 2.43E-09mmHg at 25°C
• Boiling Point: 479.1°C at 760 mmHg
• Flash Point: 206.5°C
• Density: 1.21g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 308.14124450
• Heavy Atom Count: 23
• Complexity: 423

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

Technology Process of 1(3h)-Isobenzofuranone, 3-(cyclohexyloxy)-3-phenyl-

There total 3 articles about 1(3h)-Isobenzofuranone, 3-(cyclohexyloxy)-3-phenyl- 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-cyclohexyloxy-3-phenyl-phthalide (33632-03-0)

Guidance literature:

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

DOI:10.1021/ja01218a033

Reference yield:

3-chloro-3-phenylphthalide (18852-53-4) + cyclohexanol (108-93-0) → 3-cyclohexyloxy-3-phenyl-phthalide (33632-03-0)

Guidance literature:

In acetone; Kinetics; Thermodynamic data; 50percent (v/v); temp.-range 20-30 deg C; -ΔH(excit), -ΔF(excit), -ΔS(excit);

Reference yield:

→ 3-cyclohexyloxy-3-phenyl-phthalide (33632-03-0)

Guidance literature:

Pseudo-o-benzoyl-benzoesaeurechlorid (X), Cyclohexanol in CHCl3/Pyridin;

upstream raw materials:

2-Benzoylbenzoic acid

3-chloro-3-phenylphthalide

cyclohexanol