3-(Azetidin-1-yl)propan-1-amine

Base Information

• Chemical Name: 3-(Azetidin-1-yl)propan-1-amine
• CAS No.: 54262-75-8
• Molecular Formula: C6H14N2
• Molecular Weight: 114.191
• European Community (EC) Number: 863-803-2
• DSSTox Substance ID: DTXSID00568352
• Nikkaji Number: J1.147.326A
• Wikidata: Q82454581
• Mol file: 54262-75-8.mol

Synonyms:3-(azetidin-1-yl)propan-1-amine;54262-75-8;1-Azetidinepropanamine;1-Azetidinepropylamine;N-(3-Aminopropyl)azetidin;SCHEMBL2025055;DTXSID00568352;MFCD19159572;AKOS006221203;SB22677;NS-01018;CS-0308530;EN300-123463;F98111

Chemical Property of 3-(Azetidin-1-yl)propan-1-amine

Chemical Property:

• PSA: 29.26000
• LogP: 0.67910
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.115698455
• Heavy Atom Count: 8
• Complexity: 59.5

Purity/Quality:

97% ^*data from raw suppliers

3-(azetidin-1-yl)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C1)CCCN

Technology Process of 3-(Azetidin-1-yl)propan-1-amine

There total 3 articles about 3-(Azetidin-1-yl)propan-1-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: 50.0%

N-benzhydryl azetidine (107128-00-7) → azetidine (503-29-7) + N-γ-aminopropyltrimethyleneimine (54262-75-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; other solvents;

Reference yield: 1.0%

azetidine (503-29-7) + Trimethylenediamine (109-76-2,54018-94-9) → bis(3-aminopropyl)amine (56-18-8) + N-γ-aminopropyltrimethyleneimine (54262-75-8)

Guidance literature:

palladium; at 170 ℃;

DOI:10.1021/ja00353a025

Reference yield:

3-chloropropan-1-amine (14753-26-5) → azetidine (503-29-7) + 3-(3-aminopropylamino)propan-1-ol (40226-15-1) + N-γ-aminopropyltrimethyleneimine (54262-75-8) + N1-(3-Azetidin-1-yl-propyl)-propane-1,3-diamine (129157-76-2) + 1-amino-2-propene (107-11-9,30551-89-4) + propan-1-ol-3-amine (156-87-6)

Guidance literature:

With sodium hydroxide; In water; at 80 ℃; Product distribution;

upstream raw materials:

azetidine

Trimethylenediamine

3-chloropropan-1-amine

N-benzhydryl azetidine

Downstream raw materials:

N,N'-bis-(3-aminopropyl)-1,3-propanediamine

bis(3-aminopropyl)amine

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