2-((3-((Mercaptoacetyl)oxy)-2,2-bis(((mercaptoacetyl)oxy)methyl)propoxy)methyl)-2-(((mercaptoacetyl)oxy)methyl)-1,3-propanediyl bis(mercaptoacetate)

Base Information

• Chemical Name: 2-((3-((Mercaptoacetyl)oxy)-2,2-bis(((mercaptoacetyl)oxy)methyl)propoxy)methyl)-2-(((mercaptoacetyl)oxy)methyl)-1,3-propanediyl bis(mercaptoacetate)
• CAS No.: 33250-21-4
• Molecular Formula: C22H34 O13 S6
• Molecular Weight: 698.9
• European Community (EC) Number: 251-428-1
• DSSTox Substance ID: DTXSID60954893
• Nikkaji Number: J56.052I
• Wikidata: Q82934326
• Mol file: 33250-21-4.mol

Synonyms:33250-21-4;EINECS 251-428-1;2-((3-((Mercaptoacetyl)oxy)-2,2-bis(((mercaptoacetyl)oxy)methyl)propoxy)methyl)-2-(((mercaptoacetyl)oxy)methyl)-1,3-propanediyl bis(mercaptoacetate);2-[[3-[(mercaptoacetyl)oxy]-2,2-bis[[(mercaptoacetyl)oxy]methyl]propoxy]methyl]-2-[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl bis(mercaptoacetate);dipentaerythritol hexakis thioglycolate;SCHEMBL99586;DTXSID60954893;C22H34O13S6;Dipentaerythritol hexa(thioglycolate);AKOS040767568;C22-H34-O13-S6;[3-(2-sulfanylacetyl)oxy-2-[[3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propoxy]methyl]-2-[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate;Acetic acid,2-mercapto-,1,1'-[2-[[3-[(2-mercaptoacetyl)oxy]-2,2-bis[[(2-mercaptoacetyl)oxy]methyl]propoxy]methyl]-2-[[(2-mercaptoacetyl)oxy]methyl]-1,3-propanediyl]ester;Acetic acid, mercapto-, oxybis[2,2-bis[[(mercaptoacetyl)oxy]methyl]-3,1-propanediyl] ester;2-[(3-[(Sulfanylacetyl)oxy]-2,2-bis{[(sulfanylacetyl)oxy]methyl}propoxy)methyl]-2-{[(sulfanylacetyl)oxy]methyl}propane-1,3-diyl bis(sulfanylacetate);Acetic acid, mercapto-, 2-((3-((mercaptoacetyl)oxy)-2,2-bis(((mercaptoacetyl)oxy)methyl)propoxy)methyl)-2-(((mercaptoacetyl)oxy)methyl)-1,3-propanediyl ester

Chemical Property of 2-((3-((Mercaptoacetyl)oxy)-2,2-bis(((mercaptoacetyl)oxy)methyl)propoxy)methyl)-2-(((mercaptoacetyl)oxy)methyl)-1,3-propanediyl bis(mercaptoacetate)

Chemical Property:

• Vapor Pressure: 9.51E-25mmHg at 25°C
• Boiling Point: 787.2 °C at 760 mmHg
• Flash Point: 674.5 °C
• PSA: 399.83000
• Density: 1.388 g/cm³
• LogP: -0.18620
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 28
• Exact Mass: 698.03236818
• Heavy Atom Count: 41
• Complexity: 704

Purity/Quality:

98%Min ^*data from raw suppliers

DIPENTAERYTHRITOL HEXAKIS THIOGLYCOLATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)OCC(COCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)(COC(=O)CS)COC(=O)CS)S

Technology Process of 2-((3-((Mercaptoacetyl)oxy)-2,2-bis(((mercaptoacetyl)oxy)methyl)propoxy)methyl)-2-(((mercaptoacetyl)oxy)methyl)-1,3-propanediyl bis(mercaptoacetate)

There total 1 articles about 2-((3-((Mercaptoacetyl)oxy)-2,2-bis(((mercaptoacetyl)oxy)methyl)propoxy)methyl)-2-(((mercaptoacetyl)oxy)methyl)-1,3-propanediyl bis(mercaptoacetate) 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: 58.0%

Dipentaerythritol (126-58-9) + mercaptoacetic acid (68-11-1) → dipentaerythritol hexakis(mercaptoacetate) (33250-21-4)

Guidance literature:

With nitrogen; sodium hydrogencarbonate; toluene-4-sulfonic acid; In dichloromethane; water; toluene;

upstream raw materials:

Dipentaerythritol

mercaptoacetic acid

Refernces