Azetidine-2-carboxylic acid

Base Information

• Chemical Name: Azetidine-2-carboxylic acid
• CAS No.: 2517-04-6
• Deprecated CAS: 20063-89-2
• Molecular Formula: C4H7NO2
• Molecular Weight: 101.105
• Hs Code.: 2933990090
• European Community (EC) Number: 606-432-1
• NSC Number: 72471
• UNII: 775261TI36
• DSSTox Substance ID: DTXSID80859699
• Nikkaji Number: J80.510F
• Wikipedia: Azetidine-2-carboxylic_acid
• Wikidata: Q27117374
• Metabolomics Workbench ID: 131618
• ChEMBL ID: CHEMBL33592
• Mol file: 2517-04-6.mol

Synonyms:3 azetidinecarboxylic Acid;3-azetidinecarboxylic Acid;Azetidine 2 carboxylic Acid;Azetidine 3 carboxylic Acid;Azetidine-2-carboxylic Acid;Azetidine-3-carboxylic Acid;Azetidinecarboxylic Acid

Chemical Property of Azetidine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 217°C (rough estimate)
• Refractive Index: 1.499
• Boiling Point: 241.976 °C at 760 mmHg
• PKA: 2.35±0.20(Predicted)
• Flash Point: 100.144 °C
• PSA: 49.33000
• Density: 1.186 g/cm³
• LogP: -0.23830
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 101.047678466
• Heavy Atom Count: 7
• Complexity: 91.7

Purity/Quality:

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

D,L-Azetidine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC1C(=O)O

Technology Process of Azetidine-2-carboxylic acid

There total 8 articles about Azetidine-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: 100.0%

[4-((2-acetylamino-4-oxo-butyryloxy)-diphenyl-methyl)phenoxy]-poly(styrene-co-divinylbenzene), copolymer 99:1, trityl loading: 1.47 mmol/g → Azetidine-2-carboxylic acid (2517-04-6,20063-89-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1002/adsc.200303053

Reference yield: 52.0%

1-((2-(trimethylsilyl)ethyl)sulfonyl)azetidine-2-carboxylic acid → Azetidine-2-carboxylic acid (2517-04-6,20063-89-2)

Guidance literature:

With cesium fluoride; In N,N-dimethyl-formamide; at 95 ℃; for 48h;

DOI:10.1016/j.tet.2017.06.067

Reference yield:

1-(p-tolylsulfonyl)azetidine-2-carboxylic acid (39897-13-7,17481-44-6,174740-80-8) → Azetidine-2-carboxylic acid (2517-04-6,20063-89-2)

Guidance literature:

With ammonia; sodium; at -78 ℃; for 0.5h; Yield given;

DOI:10.1021/jm9506884

upstream raw materials:

4-amino-n-butyric acid

DL-N-diphenylmethylazetidine-2-carboxylic acid benzyl ester

1-(p-tolylsulfonyl)azetidine-2-carboxylic acid

Downstream raw materials:

(2S)-methyl azetidine-2-carboxylate

C₃₁H₃₈N₂O₃

C₂₄H₃₂N₂O₃

2-amino-4-phenylthiobutanoic acid

Refernces

• 1、 -. "Anti-heparin peptides". . . Retrieved 2008/06/13.
• 2、 -. "Process". . . Retrieved 2008/06/13.