Djenkolic acid

Base Information

• Chemical Name: Djenkolic acid
• CAS No.: 498-59-9
• Molecular Formula: C7H14N2O4S2
• Molecular Weight: 254.331
• Hs Code.: 2930909090
• European Community (EC) Number: 207-863-4
• UNII: 3QHC9R0YFZ
• DSSTox Substance ID: DTXSID80198075
• Nikkaji Number: J28.556K
• Wikipedia: Djenkolic_acid
• Wikidata: Q4263761
• Metabolomics Workbench ID: 67827
• ChEMBL ID: CHEMBL3138615
• Mol file: 498-59-9.mol

Synonyms:djenkolic acid;djenkolic acid, hydrochloride

Chemical Property of Djenkolic acid

Chemical Property:

• Vapor Pressure: 5.2E-12mmHg at 25°C
• Melting Point: 325°C (rough estimate)
• Refractive Index: -65 ° (C=1, 1mol/L HCl)
• Boiling Point: 515.4 °C at 760 mmHg
• PKA: pK1:2.200(＋1);pK2:8.16(0) (25°C)
• Flash Point: 265.5 °C
• PSA: 177.24000
• Density: 1.501 g/cm³
• LogP: 0.63470
• Storage Temp.: 2-8°C
• Water Solubility.: 5g/L(100 oC)
• XLogP3: -5.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 254.03949928
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

98% ^*data from raw suppliers

Djenkolic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)N)SCSCC(C(=O)O)N
• Isomeric SMILES: C([C@@H](C(=O)O)N)SCSC[C@@H](C(=O)O)N

Technology Process of Djenkolic acid

There total 3 articles about Djenkolic 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + L-Cysteine (52-90-4) → S,S'-methylenebis(cysteine) (498-59-9)

Guidance literature:

With hydrogenchloride; at 70 ℃;

Reference yield:

L-Cysteine (52-90-4) + dichloromethane (75-09-2) → S,S'-methylenebis(cysteine) (498-59-9)

Guidance literature:

With ammonia; unter starker Kuehlung;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + L-Cysteine (52-90-4) → S,S'-methylenebis(cysteine) (498-59-9)

Guidance literature:

at 70 ℃;

upstream raw materials:

formaldehyd

L-Cysteine

dichloromethane

Downstream raw materials:

formaldehyd

rac-cysteine

cysteine disulfide

ethyl L-thiazolidine-4-carboxylate