Azepan-3-amine

Base Information

• Chemical Name: Azepan-3-amine
• CAS No.: 69154-03-6
• Molecular Formula: C6H14N2
• Molecular Weight: 114.191
• Hs Code.: 2933990090
• European Community (EC) Number: 672-202-2
• DSSTox Substance ID: DTXSID70373374
• Nikkaji Number: J1.154.954C
• Mol file: 69154-03-6.mol

Synonyms:3-Aminohomopiperidine;Azepan-3-amine;69154-03-6;(+/-)-3-amino-homopiperidine;azepan-3-ylamine;(+/-)-3-aminohomopiperidine;1H-AZEPIN-3-AMINE, HEXAHYDRO-;3-amino-homopiperidine;(R)-3-Aminohexahydroazepine;Hexahydro-1H-azepin-3-amine;(R)-3-AMINO-HEXAHYDROAZEPINE;(R)-3-AMINO-HEXAHYDRO-1H-AZEPIN;3-aminohexahydroazepine;(+/-)-azepan-3-amine;DL-3-Amino Homopiperidine;3-Aminohexahydro-1H-azepin;SCHEMBL913514;Hexahydro-1H-azepine-3-amine;DTXSID70373374;WJUBYASTGWKFHK-UHFFFAOYSA-N;BCP13365;MFCD02183579;AKOS011935651;AB11528;CS-W002928;DS-1097;PB20876;SB12844;SB20416;AC-23372;A9162;AM20100642;FT-0641223;FT-0688583;A56046;EN300-216185;J-511689

Chemical Property of Azepan-3-amine

Chemical Property:

• Vapor Pressure: 0.875mmHg at 25°C
• Refractive Index: 1.453
• Boiling Point: 180.9 °C at 760 mmHg
• PKA: 10.66±0.40(Predicted)
• Flash Point: 69.6 °C
• PSA: 38.05000
• Density: 0.893 g/cm³
• LogP: 1.11630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.115698455
• Heavy Atom Count: 8
• Complexity: 63.5

Purity/Quality:

97% ^*data from raw suppliers

Azepan-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNCC(C1)N
• Uses: Azepan-3-amine is a useful reagent for preparing N-alkylated pyrimidinediones.

Technology Process of Azepan-3-amine

There total 3 articles about Azepan-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: 54.0%

3-aminoazepan-2-one (17929-90-7) → DL-3-aminohexahydro-1H-azepin (69154-03-6,124932-43-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; BH₃-THF; In tetrahydrofuran;

Reference yield:

→ potassium carbonate (584-08-7) + DL-3-aminohexahydro-1H-azepin (69154-03-6,124932-43-0)

Guidance literature:

Reference yield:

(R)-α-amino-ε-caprolactam hydrochloride (29426-64-0,99560-25-5) → DL-3-aminohexahydro-1H-azepin (69154-03-6,124932-43-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 24h; Heating;

DOI:10.1246/bcsj.60.141

upstream raw materials:

(R)-α-amino-ε-caprolactam hydrochloride

3-aminoazepan-2-one

Downstream raw materials:

1-tert-butoxycarbonyl-3-amino-hexahydroazepine

1-tert-butoxycarbonyl-3-(phenylamino)hexahydroazepine

1-tert-butoxycarbonyl-3-[(2-methoxyphenyl)amino]hexahydroazepine

1-tert-butoxycarbonyl-3-[(2-ethylphenyl)amino]hexahydroazepine