2-Azaniumyl-4-(2-azaniumyl-2-carboxylatoethyl)sulfanylbutanoate

Base Information

• Chemical Name: 2-Azaniumyl-4-(2-azaniumyl-2-carboxylatoethyl)sulfanylbutanoate
• CAS No.: 535-34-2
• Molecular Formula: C7H14N2O4S
• Molecular Weight: 222.265
• Hs Code.: 2930909090
• Mol file: 535-34-2.mol

Synonyms:

Chemical Property of 2-Azaniumyl-4-(2-azaniumyl-2-carboxylatoethyl)sulfanylbutanoate

Chemical Property:

• Appearance/Colour: WHITE TO OFF-WHITE POWDER
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 315-316 °C
• Refractive Index: 1.592
• Boiling Point: 481.009 °C at 760 mmHg
• PKA: 2.08±0.10(Predicted)
• Flash Point: 244.705 °C
• PSA: 151.94000
• Density: 1.43 g/cm³
• LogP: 0.33410
• Storage Temp.: 2-8°C
• Solubility.: Aqueous Acid (Slightly), Water (Slightly, Sonicated)
• XLogP3: -4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 222.06742811
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

D,L-Cystathionine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CSCC(C(=O)[O-])[NH3+])C(C(=O)[O-])[NH3+]
• Uses: Intermediate for transsulfuration whereby a mammal transfers the sulfur of methionine via homocysteine to cysteine.

Technology Process of 2-Azaniumyl-4-(2-azaniumyl-2-carboxylatoethyl)sulfanylbutanoate

There total 4 articles about 2-Azaniumyl-4-(2-azaniumyl-2-carboxylatoethyl)sulfanylbutanoate 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:

→ cystathionine (535-34-2)

Guidance literature:

Ezomycin A(1), HCl;

DOI:10.1080/00021369.1973.10860736

Reference yield:

3-chloro-DL-alanine methyl ester (56410-68-5) + 2-amino-4-mercaptobutyric acid (454-29-5) → DL,DL-cystathionine (56-88-2,535-34-2,2867-15-4,2998-83-6,6899-07-6,30651-43-5,61949-06-2)

Guidance literature:

With potassium hydroxide; at 60 ℃; es bilden sich die beiden Diastereoisomeren;

Reference yield:

→ DL,DL-cystathionine (56-88-2,535-34-2,2867-15-4,2998-83-6,6899-07-6,30651-43-5,61949-06-2)

Guidance literature:

With hydrogenchloride; es bilden sich die beiden Diastereoisomeren;

upstream raw materials:

3-chloro-DL-alanine methyl ester

2-amino-4-mercaptobutyric acid

N-Acetamidoacrylic acid

Downstream raw materials:

Cystathionine sulfoxide

Refernces