(2R,3R,4R,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol

Base Information

• Chemical Name: (2R,3R,4R,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol
• CAS No.: 18545-97-6
• Molecular Formula: C10H22O5S2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID201305500
• Nikkaji Number: J82.771A
• Mol file: 18545-97-6.mol

Synonyms:D-Allose diethyl dithioacetal;18545-97-6;(2R,3R,4R,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol;D-Allose, diethyl dithioacetal;BTOYCPDACQXQRS-FNCVBFRFSA-N;DTXSID201305500

Chemical Property of (2R,3R,4R,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol

Chemical Property:

• PSA: 151.75000
• LogP: -0.74540
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 286.09086615
• Heavy Atom Count: 17
• Complexity: 190

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(C(C(C(C(CO)O)O)O)O)SCC
• Isomeric SMILES: CCSC([C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O)SCC

Technology Process of (2R,3R,4R,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol

There total 3 articles about (2R,3R,4R,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol 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: 50.0%

methyl 4,6-O-benzylidene-α-D-allopyranoside (4153-17-7) + ethanethiol (75-08-1) → D-galactose diethyl dithioacetal (18545-97-6)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 2h;

DOI:10.1016/S0008-6215(00)85192-7

Reference yield:

D-galactitol (608-66-2) → DL-galactose-diethyldithioacetal (1941-52-2,4258-05-3,4258-07-5,4435-00-1,5463-33-2,6748-69-2,15354-64-0,18545-97-6,64813-43-0,76945-90-9,86334-49-8)

Guidance literature:

With dihydrogen peroxide; und Behandeln des Reaktionsprodukts mit Aethanthiol und wss.Salzsaeure;

DOI:10.1246/bcsj.26.463

Reference yield:

→ D-galactose diethyl dithioacetal (18545-97-6)

Guidance literature:

DOI:10.1021/ja00706a040 DOI:10.1016/S0008-6215(00)81522-0 DOI:10.1002/hlca.19670500813

upstream raw materials:

D-galactitol

methyl 4,6-O-benzylidene-α-D-allopyranoside

ethanethiol

Downstream raw materials:

penta-O-acetyl-aldehydo-DL-galactose-diethyldithioacetal

penta-O-acetyl-D-allose diethyl dithioacetal

2,3,4,5,6-penta-O-benzyl-D-allose diethyl dithioacetal