Azetidin-3-amine

Base Information

• Chemical Name: Azetidin-3-amine
• CAS No.: 102065-86-1
• Molecular Formula: C3H8N2^.2(HCl)
• Molecular Weight: 72.1099
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70363972
• Wikidata: Q72444410
• Mol file: 102065-86-1.mol

Synonyms:Azetidin-3-amine;102065-86-1;3-AMINOAZETIDINE;3-Azetidinamine;AMY6172;DTXSID70363972;BCP27445;AC2715;MFCD06858460;AKOS006284547;SB50833;AS-56681;SY033623;FT-0648322

Chemical Property of Azetidin-3-amine

Chemical Property:

• Vapor Pressure: 0.297mmHg at 25°C
• Boiling Point: 198.8 °C at 760 mmHg
• PKA: 10.36±0.40(Predicted)
• Flash Point: 74 °C
• PSA: 38.05000
• Density: 0.966±0.06 g/cm3(Predicted)
• LogP: -0.05400
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Water Solubility.: Slightly soluble in water.
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 72.068748264
• Heavy Atom Count: 5
• Complexity: 31.9

Purity/Quality:

98%, ^*data from raw suppliers

Azetidin-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1)N

Technology Process of Azetidin-3-amine

There total 2 articles about Azetidin-3-amine 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: 91.3%

1-benzyl-3-aminoazetidine → 3-amino-1-azetidine (102065-86-1)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; water; at 70 ℃; for 5h; under 7500.75 Torr;

Reference yield:

benzhydryl-1 amino-3 azetidine dichlorhydrate (102065-90-7) → 3-amino-1-azetidine (102065-86-1)

Guidance literature:

With hydrogen; palladium hydroxide - carbon; In methanol; at 40 ℃; for 4h; under 3040 Torr; Yield given;

DOI:10.1002/jhet.5570220405

Reference yield: 83.0%

3-amino-1-azetidine (102065-86-1) + 5-amino-1-(2,4-difluorophenyl)-6,7,8-trifluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid → 5-Amino-7-(3-amino-azetidin-1-yl)-1-(2,4-difluoro-phenyl)-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Guidance literature:

With pyridine; triethylamine; for 3h; Heating;

DOI:10.1021/jm00059a002

upstream raw materials:

benzhydryl-1 amino-3 azetidine dichlorhydrate

Downstream raw materials:

bis benzoyl-1,3 amino-3 azetidine

Refernces

• 1、 Nisato,Frigerio. "Synthesis of 3-aminoazetidine". . p. 961 - 963. Retrieved 2007/10/02.