[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-iodobenzoate

Base Information

• Chemical Name: [2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-iodobenzoate
• CAS No.: 6052-90-0
• Molecular Formula: C20H26 O2
• Molecular Weight: 298.425
• DSSTox Substance ID: DTXSID90387175
• Wikidata: Q82181176
• Mol file: 6052-90-0.mol

Synonyms:6052-90-0;DTXSID90387175;2,2-bis(4-hydroxyphenyl)-n-octane;[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-iodobenzoate;STK208324;AKOS002472160;SR-01000226300;SR-01000226300-1;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl 2-iodobenzoate

Chemical Property of [2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-iodobenzoate

Chemical Property:

• Vapor Pressure: 1.99E-12mmHg at 25°C
• Boiling Point: 556.6°C at 760 mmHg
• Flash Point: 290.4°C
• Density: 1.668g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 423.98077
• Heavy Atom Count: 23
• Complexity: 441

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=C3I

Technology Process of [2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-iodobenzoate

There total 4 articles about [2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-iodobenzoate 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: 31.8%

n-octyne (629-05-0) + phenol (108-95-2,27073-41-2) → 2-(1-Methylheptyl)phenol (18626-98-7) + 2,2-bis(4'-hydroxyphenyl)-octane (6052-90-0) + 4-(2-octyl)phenol (1818-08-2) + 4-methyl-2,4-dihexyl-4H-chromene (115264-45-4) + 2-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)octane (115264-43-2) + 4-methyl-2,4-dihexyl-2-(2-hydroxyphenyl)chroman (115264-44-3)

Guidance literature:

With aluminium(III) phenoxide; at 130 ℃; for 8h; Product distribution; var. ratios of reagents, oth. temperature, oth. time, presence of solvent, pressure 1-1.5 MPa_.;

Reference yield:

hexyl-methyl-ketone (111-13-7) + phenol (108-95-2,27073-41-2) → 2,2-bis(4'-hydroxyphenyl)-octane (6052-90-0)

Guidance literature:

With hydrogenchloride; at 80 - 90 ℃; im geschlossenen Rohr;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + hexyl-methyl-ketone (111-13-7) + phenol (108-95-2,27073-41-2) → 2,2-bis(4'-hydroxyphenyl)-octane (6052-90-0)

Guidance literature:

DOI:10.1021/ja01234a038

upstream raw materials:

hexyl-methyl-ketone

phenol

n-octyne

hydrogenchloride

Downstream raw materials:

4-(2-octyl)phenol

Refernces

• 1、 -. "Method for manufacturing bisphenol". . . Retrieved 2008/06/13.
• 2、 -. "Processes for producing aromatic polycarbonate oligomer and aromatic polycarbonate". . . Retrieved 2008/06/13.