5,6,6-Tris(ethylsulfanyl)hexane-1,2,3,4-tetrayl tetrabenzoate(non-preferred name)

Base Information

• Chemical Name: 5,6,6-Tris(ethylsulfanyl)hexane-1,2,3,4-tetrayl tetrabenzoate(non-preferred name)
• CAS No.: 15446-46-5
• Molecular Formula: C40H42O8S3
• Molecular Weight: 746.9517
• NSC Number: 105267,25266
• DSSTox Substance ID: DTXSID20282260
• Mol file: 15446-46-5.mol

Synonyms:15356-39-5;NSC25266;5,6,6-tris(ethylsulfanyl)hexane-1,2,3,4-tetrayl tetrabenzoate(non-preferred name);DTXSID20282260;NSC-25266;NSC105267;NSC-105267;15446-46-5

Chemical Property of 5,6,6-Tris(ethylsulfanyl)hexane-1,2,3,4-tetrayl tetrabenzoate(non-preferred name)

Chemical Property:

• Vapor Pressure: 7.29E-28mmHg at 25°C
• Boiling Point: 832.2°Cat760mmHg
• Flash Point: 421.3°C
• Density: 1.245g/cm³
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 23
• Exact Mass: 746.20418181
• Heavy Atom Count: 51
• Complexity: 1040

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(C(C(C(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(SCC)SCC

Technology Process of 5,6,6-Tris(ethylsulfanyl)hexane-1,2,3,4-tetrayl tetrabenzoate(non-preferred name)

There total 5 articles about 5,6,6-Tris(ethylsulfanyl)hexane-1,2,3,4-tetrayl tetrabenzoate(non-preferred name) 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:

3,4,5,6-tetra-O-benzoyl-D-glucose diethyl dithioacetal (176842-69-6) + ethanethiol (75-08-1) → tetra-O-benzoyl-S-ethyl-aldehydo-D-2-thio-mannose diethyl dithioacetal (15446-46-5)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/c29700001038 DOI:10.1002/hlca.19510340553

Reference yield:

3,4,5,6-tetra-O-benzoyl-D-glucose diethyl dithioacetal (176842-69-6) → tetra-O-benzoyl-S-ethyl-aldehydo-D-2-thio-mannose diethyl dithioacetal (15446-46-5)

Guidance literature:

Multi-step reaction with 2 steps

1: HgCl₂; BaCO₃; acetone

2: HCl

With hydrogenchloride; acetone; barium carbonate; mercury dichloride;

Reference yield:

O3,O4,O5,O6-Tetrabenzoyl-D-glucose (20702-98-1) + ethanethiol (75-08-1) → tetra-O-benzoyl-S-ethyl-aldehydo-D-2-thio-mannose diethyl dithioacetal (15446-46-5)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

O³,O⁴,O⁵,O⁶-Tetrabenzoyl-D-glucose

ethanethiol

3,4,5,6-tetra-O-benzoyl-D-glucose diethyl dithioacetal

O²,O³,O⁴,O⁶-Tetrabenzoyl-D-glucose

Downstream raw materials:

3,4,5,6-tetra-O-benzoyl-2-S-ethyl-2-thio-D-mannose dimethyl acetal

2-S-ethyl-2-thio-D-mannose diethyl dithioacetal