Heptamethylenimine hydrochloride

Base Information

• Chemical Name: Heptamethylenimine hydrochloride
• CAS No.: 36520-41-9
• Molecular Formula: C7H15N•ClH
• Molecular Weight: 149.664
• NSC Number: 400414
• UNII: 49J2UIC94Z
• DSSTox Substance ID: DTXSID50190026
• Wikidata: Q27259288
• Mol file: 36520-41-9.mol

Synonyms:Heptamethylenimine hydrochloride;Octahydroazocine hydrochloride;36520-41-9;azocane;hydrochloride;Heptamethyleneimine hydrochloride;Azocine, octahydro-, hydrochloride;NSC 400414;UNII-49J2UIC94Z;49J2UIC94Z;NSC-400414;azocane hydrochloride;Azocine, hydrochloride;C1CCCNCCC1;DTXSID50190026;NSC400414;LS-23466;EN300-7435888;AZOCINE, OCTAHYDRO-, HYDROCHLORIDE (1:1);Q27259288

Chemical Property of Heptamethylenimine hydrochloride

Chemical Property:

• Vapor Pressure: 3.15mmHg at 25°C
• Boiling Point: 154.6°Cat760mmHg
• Flash Point: 29.4°C
• Density: 0.82g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 149.0971272
• Heavy Atom Count: 9
• Complexity: 46.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCNCCC1.Cl

Technology Process of Heptamethylenimine hydrochloride

There total 1 articles about Heptamethylenimine hydrochloride 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: 95.0%

7-amino-heptanoic acid lactam (673-66-5) → octahydroazocin hydrochloride (36520-41-9)

Guidance literature:

7-amino-heptanoic acid lactam; With bis(cyclopentadienyl)dihydrozirconium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; at 20 ℃; for 12h; under 760.051 Torr; Inert atmosphere;

With hydrogenchloride; In diethyl ether; Inert atmosphere;

Reference yield: 99.0%

1-phenylprop-2-ynyl acetate (16169-88-3,84681-19-6,116119-86-9,116182-55-9) + octahydroazocin hydrochloride (36520-41-9) → (R)-1-(1-phenylprop-2-yn-1-yl)azocane

Guidance literature:

With tetrakis(acetonitrile)copper(I) hexafluorophosphate; C₃₂H₂₇N₂P; N-ethyl-N,N-diisopropylamine; In methanol; at -20 ℃; enantioselective reaction; Inert atmosphere;

DOI:10.1039/d1cc00663k

Reference yield: 91.0%

1-(4-chlorophenyl)imidazolidine-2,4-dione (32549-33-0) + octahydroazocin hydrochloride (36520-41-9) → 4-azocan-1-yl-1-(4-chloro-phenyl)-1,5-dihydro-imidazol-2-one

Guidance literature:

Heating;

DOI:10.1021/jm0509400

upstream raw materials:

7-amino-heptanoic acid lactam

Downstream raw materials:

3-hexahydroazocin-1-yl-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one; hydrochloride

Refernces