(R)-Azepan-3-amine

Base Information

• Chemical Name: (R)-Azepan-3-amine
• CAS No.: 124932-43-0
• Molecular Formula: C6H14N2
• Molecular Weight: 114.18876
• Hs Code.: 2933990090
• European Community (EC) Number: 800-225-1
• DSSTox Substance ID: DTXSID70428010
• Wikidata: Q72437535
• Mol file: 124932-43-0.mol

Synonyms:(R)-Azepan-3-amine;124932-43-0;(3R)-azepan-3-amine;Besifloxacin Impurity G;1H-Azepin-3-amine, hexahydro-, (3R)-;(R)-3-Aminohexahydro-1H-azepin;(R)-3-AMINO-HEXAHYDRO-1H-AZEPIN;(R)-3-AMINO-HEXAHYDROAZEPINE;(R)-3-Aminohexahydroazepine;(R)-3-AMINOAZEPANE;(R)azepan-3-amine;SCHEMBL7810716;AMY3810;DTXSID70428010;(R)-Hexahydro-1H-azepin-3-amine;CS-M3616;(3R)-hexahydro-1h-azepin-3-amine;MFCD00044964;AKOS016842480;Besifloxacin hydrochloride Intermediate;DS-17291;A890342;J-501248

Chemical Property of (R)-Azepan-3-amine

Chemical Property:

• Boiling Point: 180.9℃
• PKA: 10.66±0.40(Predicted)
• Flash Point: 69.6℃
• PSA: 38.05000
• Density: 0.893
• 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:

99% ^*data from raw suppliers

(R)-3-Amino-hexahydroazepine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNCC(C1)N
• Isomeric SMILES: C1CCNC[C@@H](C1)N
• Uses: (R)-3-Amino-hexahydroazepine is an intermediate used to prepare ureido thiophene carboxamides as checkpoint kinase inhibitors. It is also an impurity of Besifloxacin (B319000, HCl salt), a fluoroquinolone antibiotic.

Technology Process of (R)-Azepan-3-amine

There total 29 articles about (R)-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: 97.98%

C14H20N2O2 → (R)-(+)-3-Amino-hexahydro-1H-azepin (124932-43-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 - 35 ℃; for 12h; under 7500.75 Torr; Autoclave;

Reference yield: 97.7%

C8H16N2O (643045-39-0) → (R)-(+)-3-Amino-hexahydro-1H-azepin (124932-43-0)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 6h; Reflux;

Reference yield: 97.58%

C13H20N2 → (R)-(+)-3-Amino-hexahydro-1H-azepin (124932-43-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 - 35 ℃; for 12h; under 7500.75 Torr; Autoclave;

upstream raw materials:

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

3-aminoazepan-2-one

(R)-3-amino-azepan-2-one

(R)-3-tert-butyloxycarbonylamino-1H-azacycloheptane

Downstream raw materials:

1-tert-butoxycarbonyl-3-amino-hexahydroazepine