2,9-Benzodioxacyclododecin-1,10-dione, 3,4,5,6,7,8-hexahydro-

Base Information

• Chemical Name: 2,9-Benzodioxacyclododecin-1,10-dione, 3,4,5,6,7,8-hexahydro-
• CAS No.: 16709-50-5
• Molecular Formula: C14H16 O4
• Molecular Weight: 248.279
• Hs Code.: 2932999099
• European Community (EC) Number: 240-757-6
• DSSTox Substance ID: DTXSID1066104
• Nikkaji Number: J236.831E
• Wikidata: Q81992683
• Mol file: 16709-50-5.mol

Synonyms:16709-50-5;3,4,5,6,7,8-Hexahydrobenzo-2,9-dioxacyclododecin-1,10-dione;2,9-Benzodioxacyclododecin-1,10-dione, 3,4,5,6,7,8-hexahydro-;Phthalic acid, cyclic hexamethylene ester;3,10-dioxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-2,11-dione;EINECS 240-757-6;1,2-Benzenedicarboxylic acid, 1,6-hexanediyl ester;SCHEMBL1395558;DTXSID1066104;Phthalic acid hexamethylene ester;AS-76398;D93396

Chemical Property of 2,9-Benzodioxacyclododecin-1,10-dione, 3,4,5,6,7,8-hexahydro-

Chemical Property:

• Vapor Pressure: 2.51E-09mmHg at 25°C
• Boiling Point: 478.7°C at 760 mmHg
• Flash Point: 252.2°C
• PSA: 292.76000
• Density: 1.14g/cm³
• LogP: 0.93920
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 248.10485899
• Heavy Atom Count: 18
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCOC(=O)C2=CC=CC=C2C(=O)OCC1
• Uses: 3,4,5,6,7,8-Hexahydro-2,9-benzodioxacyclododecin-1,10-dione is a phthalate based pollutant and also is synthesized to be used in the measurement of electrochemical imaging.

Technology Process of 2,9-Benzodioxacyclododecin-1,10-dione, 3,4,5,6,7,8-hexahydro-

There total 4 articles about 2,9-Benzodioxacyclododecin-1,10-dione, 3,4,5,6,7,8-hexahydro- 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: 77.0%

Phthalic acid mono-(6-bromo-hexyl) ester → 3,4,5,6,7,8-hexahydrobenzo[c][1,6]dioxacyclododecine-1,10-dione (16709-50-5)

Guidance literature:

Phthalic acid mono-(6-bromo-hexyl) ester; With potassium hydrogencarbonate; In dimethyl sulfoxide; for 0.5h;

With silver tetrafluoroborate; In dimethyl sulfoxide; at 60 ℃; for 12h;

DOI:10.1016/j.tet.2013.07.064

Reference yield: 39.0%

C26H27O4S(1+)*BF4(1-) → 3,10,19,26-Tetraoxa-tricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-2,11,18,27-tetraone (55379-43-6) + 3,4,5,6,7,8-hexahydrobenzo[c][1,6]dioxacyclododecine-1,10-dione (16709-50-5)

Guidance literature:

With caesium carbonate; In acetone; for 12h; Heating;

DOI:10.1021/jo00040a013

Reference yield:

Phthalic acid mono-(6-iodo-hexyl) ester → 3,4,5,6,7,8-hexahydrobenzo[c][1,6]dioxacyclododecine-1,10-dione (16709-50-5)

Guidance literature:

Multi-step reaction with 2 steps

1: AgBF₄

2: 39 percent / Cs₂CO₃ / acetone / 12 h / Heating

With silver tetrafluoroborate; caesium carbonate; In acetone;

DOI:10.1021/jo00040a013

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