2,5-Dimercaptohexanedioic acid

Base Information

• Chemical Name: 2,5-Dimercaptohexanedioic acid
• CAS No.: 5139-01-5
• Molecular Formula: C6H10O4S2
• Molecular Weight: 210.275
• DSSTox Substance ID: DTXSID80875617
• Mol file: 5139-01-5.mol

Synonyms:2,5-Dimercaptoadipic acid;alpha,alpha'-Dimercaptoadipate;Adipic acid, 2,5-dimercapto-;NIOSH/AV1642500;Hexanedioic acid, 2,5-dimercapto-;5139-01-5;AV16425000;2,5-Dimercaptohexanedioic acid;ethylene-bis-thioglycolic acid;SCHEMBL931181;DTXSID80875617

Chemical Property of 2,5-Dimercaptohexanedioic acid

Chemical Property:

• Vapor Pressure: 1.51E-07mmHg at 25°C
• Boiling Point: 400.9°C at 760 mmHg
• Flash Point: 196.3°C
• Density: 1.443g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 210.00205114
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(C(=O)O)S)C(C(=O)O)S

Technology Process of 2,5-Dimercaptohexanedioic acid

There total 3 articles about 2,5-Dimercaptohexanedioic acid 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:

rac2.5-bis-ethylxanthogen-adipic acid → 2,5-dimercapto-adipic acid (5139-01-5)

Guidance literature:

With ammonia; meso-2.5-dimercapto-adipic acid; unter Luftausschluss;

Reference yield:

→ 2,5-dimercapto-adipic acid (5139-01-5)

Guidance literature:

With ammonia; zinc; levorotatory 2.5-dimercapto-adipic acid;

Reference yield:

meso-2,5-dibromoadipic acid (3425-65-8) → 2,5-dimercapto-adipic acid (5139-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃

2: aqueous methanolic NH₃ / unter Luftausschluss

With ammonia; sodium carbonate;

upstream raw materials:

meso-2,5-dibromoadipic acid

Downstream raw materials:

α,α'-Bis-(benzoxycarbonylmercapto)-adipinsaeure-amid

α,α'-Bis-(benzoxycarbonylmercapto)-adipinsaeure-chlorid