2-(Benzoyloxy)-6-methoxyphenyl benzoate

Base Information

• Chemical Name: 2-(Benzoyloxy)-6-methoxyphenyl benzoate
• CAS No.: 91201-69-3
• Molecular Formula: C₂₁H₁₆O₅
• Molecular Weight: 348.355
• NSC Number: 24821
• DSSTox Substance ID: DTXSID40282181
• Wikidata: Q82016386
• ChEMBL ID: CHEMBL1899607
• Mol file: 91201-69-3.mol

Synonyms:MLS002639018;91201-69-3;NSC24821;2-(BENZOYLOXY)-6-METHOXYPHENYL BENZOATE;CHEMBL1899607;DTXSID40282181;HMS3093L17;NSC-24821;AKOS024331783;SMR001548474

Chemical Property of 2-(Benzoyloxy)-6-methoxyphenyl benzoate

Chemical Property:

• Vapor Pressure: 4.62E-12mmHg at 25°C
• Boiling Point: 548°C at 760 mmHg
• Flash Point: 241.6°C
• Density: 1.242g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 348.09977361
• Heavy Atom Count: 26
• Complexity: 465

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Technology Process of 2-(Benzoyloxy)-6-methoxyphenyl benzoate

There total 7 articles about 2-(Benzoyloxy)-6-methoxyphenyl benzoate 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: 70.0%

2a,8a-dihydro-2a,8a-diphenyl-4-methoxybenzo<1,2>dioxeto<3,4e><1,4>dioxin (91201-64-8) → 1,2-bis-benzoyloxy-3-methoxy-benzene (91201-69-3)

Guidance literature:

In tetrachloromethane; at 75 ℃;

DOI:10.1021/jo00195a008

Reference yield:

3-methocycatechol (934-00-9) → 1,2-bis-benzoyloxy-3-methoxy-benzene (91201-69-3)

Guidance literature:

Multi-step reaction with 4 steps

1: NaOEt / 3 h / Ambient temperature

2: SOCl₂, pyridine / 4 h / 90 °C

3: 40 percent / O₂, Rose Bengal / CH₂Cl₂ / 2 h / -78 °C / Irradiation

4: xylene / 97 °C / ΔH(excit.), ΔS(excit.), ΔG(excit.), other temp., chemiluminescence technique (DBA)

With pyridine; thionyl chloride; oxygen; sodium ethanolate; rose bengal; In dichloromethane; xylene;

DOI:10.1021/jo00195a008

Reference yield:

2,3-diphenyl-5-methoxybenzo-1,4-dioxin (91201-56-8) → 1,2-bis-benzoyloxy-3-methoxy-benzene (91201-69-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 40 percent / O₂, Rose Bengal / CH₂Cl₂ / 2 h / -78 °C / Irradiation

2: xylene / 97 °C / ΔH(excit.), ΔS(excit.), ΔG(excit.), other temp., chemiluminescence technique (DBA)

With oxygen; rose bengal; In dichloromethane; xylene;

DOI:10.1021/jo00195a008

upstream raw materials:

3-methocycatechol

benzoyl chloride

2a,8a-dihydro-2a,8a-diphenyl-4-methoxybenzo<1,2>dioxeto<3,4e><1,4>dioxin

aluminium trichloride