2-[Bis(ethylsulfanyl)methyl]-4,9-diphenyl-3,5,8,10-tetraoxabicyclo[4.4.0]decane

Base Information

• Chemical Name: 2-[Bis(ethylsulfanyl)methyl]-4,9-diphenyl-3,5,8,10-tetraoxabicyclo[4.4.0]decane
• CAS No.: 13231-45-3
• Molecular Formula: C₂₃H₂₈O₄S₂
• Molecular Weight: 432.605
• NSC Number: 176982
• DSSTox Substance ID: DTXSID70306506

Synonyms:13231-45-3;2-[bis(ethylsulfanyl)methyl]-4,9-diphenyl-3,5,8,10-tetraoxabicyclo[4.4.0]decane;4-[bis(ethylsulfanyl)methyl]-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine;NSC176982;SCHEMBL13121332;2,4:3,5-Di-O-benzylidene-D-arabinose diethyl dithioacetal;DTXSID70306506;LDBUJIGWHJRDNE-UHFFFAOYSA-N;NSC-176982;4-[Bis(ethylsulfanyl)methyl]-2,6-diphenyltetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxine (non-preferred name)

Chemical Property of 2-[Bis(ethylsulfanyl)methyl]-4,9-diphenyl-3,5,8,10-tetraoxabicyclo[4.4.0]decane

Chemical Property:

• Vapor Pressure: 1.97E-12mmHg at 25°C
• Boiling Point: 570.4°Cat760mmHg
• Flash Point: 298.8°C
• Density: 1.188g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 432.14290172
• Heavy Atom Count: 29
• Complexity: 476

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(C1C2C(COC(O2)C3=CC=CC=C3)OC(O1)C4=CC=CC=C4)SCC

Technology Process of 2-[Bis(ethylsulfanyl)methyl]-4,9-diphenyl-3,5,8,10-tetraoxabicyclo[4.4.0]decane

There total 3 articles about 2-[Bis(ethylsulfanyl)methyl]-4,9-diphenyl-3,5,8,10-tetraoxabicyclo[4.4.0]decane 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: 64.0%

D-ribose diethyl dithioacetal (7152-47-8) + benzaldehyde dimethyl acetal (1125-88-8) → 2,4:3,5-di-O-benzylidene-D-ribose diethyl dithioacetal (13231-44-2,13231-45-3,95585-41-4,109428-97-9,138604-92-9,138661-12-8,138661-13-9) + R-2,4-O-benzylidene-D-ribose diethyl dithioacetal (106499-42-7) + R-3,5-O-benzylidene-D-ribose diethyl dithioacetal (106450-93-5)

Guidance literature:

With toluene-4-sulfonic acid; In N,N-dimethyl-formamide; for 133h;

Reference yield:

→ 2,4:3,5-di-O-benzylidene-D-ribose diethyl dithioacetal (13231-44-2,13231-45-3,95585-41-4,109428-97-9,138604-92-9,138661-12-8,138661-13-9)

Guidance literature:

D-Ribose-diaethylmercaptal, Benzaldehyd, HCl <0grad>;

Reference yield:

→ 2,4:3,5-Dibenzyliden-D-lyxose-diethylmercaptal (13231-44-2,13231-45-3,95585-41-4,109428-97-9,138604-92-9,138661-12-8,138661-13-9)

Guidance literature:

aus D-Lyxose-diethylmercaptal, Benzaldehyd, HCl, 0grad;

upstream raw materials:

D-ribose diethyl dithioacetal

benzaldehyde dimethyl acetal

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