2-(2-carboxyethyl)aziridine-2-carboxylic Acid

Base Information

• Chemical Name: 2-(2-carboxyethyl)aziridine-2-carboxylic Acid
• CAS No.: 157643-41-9
• Molecular Formula: C₆H₉NO₄
• Molecular Weight: 159.142
• DSSTox Substance ID: DTXSID60439170
• Mol file: 157643-41-9.mol

Synonyms:2-(2-carboxyethyl)aziridine-2-carboxylic Acid;157643-41-9;2-Aziridinepropanoicacid,2-carboxy-(9CI);2-Aziridinepropanoicacid, 2-carboxy-;DTXSID60439170

Chemical Property of 2-(2-carboxyethyl)aziridine-2-carboxylic Acid

Chemical Property:

• Boiling Point: 413.2±30.0 °C(Predicted)
• PKA: 2.27±0.20(Predicted)
• PSA: 96.54000
• Density: 1.464±0.06 g/cm3(Predicted)
• LogP: -0.39340
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 159.05315777
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N1)(CCC(=O)O)C(=O)O

Technology Process of 2-(2-carboxyethyl)aziridine-2-carboxylic Acid

There total 3 articles about 2-(2-carboxyethyl)aziridine-2-carboxylic 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:

(fluoromethyl)glutamic acid (73800-89-2) → 2-(2-carboxyethyl)aziridine-2-carboxylic acid (157643-41-9)

Guidance literature:

With potassium hydroxide; at 85 ℃; for 1.5h;

DOI:10.1016/S0040-4039(00)73115-7

Reference yield:

2-(1,3-Dioxo-indan-2-ylamino)-2-fluoromethyl-5-hydroxy-pentanenitrile → 2-(2-carboxyethyl)aziridine-2-carboxylic acid (157643-41-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 48 percent / CrO₃, pyridine, acetic anhydride

2: 86 percent / HCl / Heating

3: 1N KOH / 1.5 h / 85 °C

With pyridine; chromium(VI) oxide; hydrogenchloride; potassium hydroxide; acetic anhydride;

DOI:10.1016/S0040-4039(00)73115-7

Reference yield:

4-Cyano-4-(1,3-dioxo-indan-2-ylamino)-5-fluoro-pentanoic acid tert-butyl ester → 2-(2-carboxyethyl)aziridine-2-carboxylic acid (157643-41-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / HCl / Heating

2: 1N KOH / 1.5 h / 85 °C

With hydrogenchloride; potassium hydroxide;

DOI:10.1016/S0040-4039(00)73115-7

upstream raw materials:

(fluoromethyl)glutamic acid