Dipentaerythritol hexakis(3-mercaptopropionate)

Base Information

• Chemical Name: Dipentaerythritol hexakis(3-mercaptopropionate)
• CAS No.: 25359-71-1
• Molecular Formula: C₂₈H₄₆O₁₃S₆
• Molecular Weight: 783.061
• European Community (EC) Number: 246-893-2
• DSSTox Substance ID: DTXSID10948202
• Nikkaji Number: J250.438C
• Wikidata: Q82925979
• Mol file: 25359-71-1.mol

Synonyms:25359-71-1;DIPENTAERYTHRITOL HEXAKIS(3-MERCAPTOPROPIONATE);dipentaerythritol hexa(3-mercaptopropionate);[3-(3-sulfanylpropanoyloxy)-2-[[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propoxy]methyl]-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate;DiPETMP;EINECS 246-893-2;2-((3-(3-Mercapto-1-oxopropoxy)-2,2-bis((3-mercapto-1-oxopropoxy)methyl)propoxy)methyl)-2-((3-mercapto-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-mercaptopropionate);SCHEMBL99517;DTXSID10948202;MFCD00128217;CS-0377951;D5212;A919297;Dipentaerythritol Hexakis(3-mercaptopropionate), >/=93%;2-[(3-[(3-Sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propoxy)methyl]-2-{[(3-sulfanylpropanoyl)oxy]methyl}propane-1,3-diyl bis(3-sulfanylpropanoate);Propanoic acid, 3-mercapto-, 1,1'-[2-[[3-(3-mercapto-1-oxopropoxy)-2,2-bis[(3-mercapto-1-oxopropoxy)methyl]propoxy]methyl]-2-[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester

Chemical Property of Dipentaerythritol hexakis(3-mercaptopropionate)

Chemical Property:

• Vapor Pressure: 1.27E-27mmHg at 25°C
• Refractive Index: 1.5310 to 1.5360
• Boiling Point: 828.8°Cat760mmHg
• PKA: 8.82±0.10(Predicted)
• Flash Point: 697.7°C
• PSA: 399.83000
• Density: 1.299g/cm³
• LogP: 2.15440
• Water Solubility.: Practically insoluble in water
• XLogP3: 1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 34
• Exact Mass: 782.12626856
• Heavy Atom Count: 47
• Complexity: 785

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dipentaerythritol Hexakis(3-mercaptopropionate) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CS)C(=O)OCC(COCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
• Uses: DIPENTAERYTHRITOL HEXAKIS (3-MERCAPTOPROPIONATE) can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and pharmaceutical and chemical production process.

Technology Process of Dipentaerythritol hexakis(3-mercaptopropionate)

There total 1 articles about Dipentaerythritol hexakis(3-mercaptopropionate) 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: 100.0%

Dipentaerythritol (126-58-9) + 3-mercaptopropionic acid (107-96-0) → dipentaerythrytol hexakis(3-mercaptopropionate) (25359-71-1)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 110 ℃; for 6h;

DOI:10.1016/S0040-4039(02)01497-1

upstream raw materials:

Dipentaerythritol

3-mercaptopropionic acid

Refernces

• 1、 -. "Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers". Page/Page column 10. . Retrieved 2010/02/11.