Azetidin-1-ium-3-carboxylate

Base Information

• Chemical Name: Azetidin-1-ium-3-carboxylate
• CAS No.: 36476-78-5
• Molecular Formula: C4H7NO2
• Molecular Weight: 101.105
• Hs Code.: 29349990
• Mol file: 36476-78-5.mol

Synonyms:

Chemical Property of Azetidin-1-ium-3-carboxylate

Chemical Property:

• Appearance/Colour: light yellow powder
• Vapor Pressure: 0.0116mmHg at 25°C
• Melting Point: 286 °C (dec.)(lit.)
• Refractive Index: 1.499
• Boiling Point: 242 °C at 760 mmHg
• PKA: 2.74±0.20(Predicted)
• Flash Point: 100.1 °C
• PSA: 49.33000
• Density: 1.275 g/cm³
• LogP: -0.38080
• Storage Temp.: 2-8°C
• Solubility.: Water (Slightly)
• Water Solubility.: Soluble in water.
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 101.047678466
• Heavy Atom Count: 7
• Complexity: 82.2

Purity/Quality:

98%, ^*data from raw suppliers

3-Azetidinecarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-22-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C[NH2+]1)C(=O)[O-]
• Uses: 3-Azetidinecarboxylic acid is a useful intermediate in the synthesis of polypeptides. Azetidine-3-carboxylic acid derivatives has potential biological and foldameric applications. Azetidine-3-carboxylic acid, a fairly strained molecule provides oxadiazoles in good yields. Azetidine-3-carboxylic acid is used as a chemical hybridising agent Azetidine and its derivatives are valuable compounds in pharmaceutical and agrochemical research.

Technology Process of Azetidin-1-ium-3-carboxylate

There total 8 articles about Azetidin-1-ium-3-carboxylate 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: 98.0%

→ 3-azetidinecarboxylic acid (36476-78-5)

Guidance literature:

Reference yield: 90.0%

N-benzyl azetidine-3-carboxylic acid (94985-27-0) → 3-azetidinecarboxylic acid (36476-78-5)

Guidance literature:

palladium; In methanol;

Reference yield: 90.0%

→ 3-azetidinecarboxylic acid (36476-78-5) + N-benzyl azetidine-3-carboxylic acid (94985-27-0)

Guidance literature:

upstream raw materials:

N-benzyl azetidine-3-carboxylic acid

N-benzyl-3,3-bis-(hydroxymethyl)-azetidine

tartaric acid

1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid

Downstream raw materials:

1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid

1-(3-(2,6-dimethyl-4-(3-oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]thiophen-1-yl)propyl)phenoxy)propyl)azetidine-3-carboxylic acid

1-(3-(2,6-dimethyl-4-(3-oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]thiophen-1-yl)propyl)phenoxy)-2-hydroxypropyl)azetidine-3-carboxylic acid

1-{[1-methyl-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl}azetidine-3-carboxylic acid

Refernces

• 1、 -. "Method for synthesizing azetidine -3 - formic acid". Paragraph 0029-0030. . Retrieved 2021/10/02.
• 2、 -. "PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID". Page 26. . Retrieved 2010/02/06.