1,8-Diaminooctane dihydrochloride

Base Information

• Chemical Name: 1,8-Diaminooctane dihydrochloride
• CAS No.: 7613-16-3
• Molecular Formula: C₈H₂₂N₂*2Cl
• Molecular Weight: 217.182
• NSC Number: 45785
• Mol file: 7613-16-3.mol

Synonyms:1,8-diaminooctane;octamethylenediamine;octamethylenediamine dihydrochloride;octamethylenediamine dihydrofluoride;octamethylenediamine, 11C2-labeled cpd dihydrochloride;octamethylenediamine, conjugate diacid

Chemical Property of 1,8-Diaminooctane dihydrochloride

Chemical Property:

• Vapor Pressure: 0.0378mmHg at 25°C
• Melting Point: 270-280 °C (decomp)
• Boiling Point: 240.5°C at 760 mmHg
• Flash Point: 165°C
• PSA: 52.04000
• Density: 0.858g/cm³
• LogP: 4.24900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 180.1393264
• Heavy Atom Count: 11
• Complexity: 47.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCN)CCCN.Cl

Technology Process of 1,8-Diaminooctane dihydrochloride

There total 7 articles about 1,8-Diaminooctane dihydrochloride 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: 99.0%

1,8-diaminooctan (373-44-4) → 1,8-diaminooctane dihydrochloride (7613-16-3,68192-88-1)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; for 0.166667h;

DOI:10.1002/chem.201902556

Reference yield: 92.0%

1,8-dinitrooctane (6848-86-8) → 1,8-diaminooctane dihydrochloride (7613-16-3,68192-88-1)

Guidance literature:

1,8-dinitrooctane; With C₃₆H₅₆Cl₃CrN₂O; magnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 60 ℃; for 24h; Inert atmosphere; Schlenk technique;

With hydrogenchloride; In tetrahydrofuran; water; ethyl acetate; at 20 ℃;

DOI:10.1021/jacs.0c12318

Reference yield:

methanol (67-56-1) + octamethylenediammonium galactarate (1192242-89-9) → dimethyl galactarate (24808-45-5,911479-56-6) + 1,8-diaminooctane dihydrochloride (7613-16-3,68192-88-1)

Guidance literature:

With acetyl chloride; for 4h; Reflux;

DOI:10.1080/07328300903080749

upstream raw materials:

methanol

octamethylenediammonium galactarate

1,8-diaminooctan

1,8-dinitrooctane

Refernces

• 1、 Zhao, Lixing,Hu, Chenyang,Cong, Xuefeng,Deng, Gongda,Liu, Liu Leo,Luo, Meiming,Zeng, Xiaoming. "Cyclic (Alkyl)(amino)carbene Ligand-Promoted Nitro Deoxygenative Hydroboration with Chromium Catalysis: Scope, Mechanism, and Applications". supporting information. p. 1618 - 1629. Retrieved 2021/01/25.
• 2、 Mercer, Sean M.,Robert, Tobias,Dixon, Daniel V.,Chen, Chien-Shun,Ghoshouni, Zahra,Harjani, Jitendra R.,Jahangiri, Soran,Peslherbe, Gilles H.,Jessop, Philip G.. "Design, synthesis, and solution behaviour of small polyamines as switchable water additives". supporting information; experimental part. p. 832 - 839. Retrieved 2012/04/23.