Delmopinol hydrochloride

Base Information

• Chemical Name: Delmopinol hydrochloride
• CAS No.: 98092-92-3
• Molecular Formula: C16H33 N O2 . Cl H
• Molecular Weight: 307.904
• Hs Code.: 2934999090
• European Community (EC) Number: 688-947-1
• UNII: SRE423V9Z9
• DSSTox Substance ID: DTXSID001335757
• Wikidata: Q27289355
• Mol file: 98092-92-3.mol

Synonyms:DELMOPINOL HYDROCHLORIDE;98092-92-3;SRE423V9Z9;2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride;M-1650;UNII-SRE423V9Z9;Ethanol, 2-(3-(4-propylheptyl)morpholin-4-yl)-;DELMOPINOL HCL [INCI];SCHEMBL308441;JFZBMJJFVBMZNC-UHFFFAOYSA-N;DTXSID001335757;DELMOPINOL HYDROCHLORIDE [MI];2-(3-(4-Propylheptyl)morpholino)ethanolhydrochloride;Q27289355;4-Morpholineethanol, 3-(4-propylheptyl)-, hydrochloride;2-[3-(4-propylheptyl)morpholin-4-yl]ethan-1-ol hydrochloride;4-(2-hydroxyethyl)-3-(4-propylheptyl) morpholine hydrochloride;4-(2-hydroxyethyl)-3-(4-propylheptyl)morpholine hydrochloride;4-MORPHOLINEETHANOL, 3-(4-PROPYLHEPTYL)-, HYDROCHLORIDE (1:1)

Chemical Property of Delmopinol hydrochloride

Chemical Property:

• Vapor Pressure: 0.003Pa at 25℃
• Melting Point: 70-72°
• Boiling Point: 374.6°Cat760mmHg
• PKA: 7.1(at 25℃)
• Flash Point: 180.3°C
• PSA: 32.70000
• Density: 0.924g/cm³
• LogP: 3.00410
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 307.2278070
• Heavy Atom Count: 20
• Complexity: 205

Purity/Quality:

99.9% ^*data from raw suppliers

DELMOPINOL HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)CCCC1COCCN1CCO.Cl

Technology Process of Delmopinol hydrochloride

There total 5 articles about Delmopinol 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: 67.0%

3-(4-propyl-heptyl)-4-(2-hydroxyethyl)-morpholine (79874-76-3) → rac-4-(2-hydroxyethyl)-3-(4-propylheptyl) morpholine hydrochloride (98092-92-3)

Guidance literature:

With hydrogenchloride; In dibutyl ether; water; ethyl acetate; at 0 - 60 ℃; for 3h; Product distribution / selectivity;

Reference yield:

4-(2-hydroxyethyl)morpholin-3-one (41036-01-5) → rac-4-(2-hydroxyethyl)-3-(4-propylheptyl) morpholine hydrochloride (98092-92-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium hydride / tetrahydrofuran / 20 °C / Reflux

1.2: 20 °C / Reflux

2.1: hydrogen; 5%-palladium/activated carbon / methanol / 30 °C / 2250.23 Torr

3.1: hydrogenchloride / Isopropyl acetate / 0 °C

With hydrogenchloride; 5%-palladium/activated carbon; hydrogen; lithium hydride; In tetrahydrofuran; methanol; Isopropyl acetate;

Reference yield:

8a-(4-propylhept-3-en-1-yl)hexahydrooxazolo[2,3-c][1,4]oxazine → rac-4-(2-hydroxyethyl)-3-(4-propylheptyl) morpholine hydrochloride (98092-92-3)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen; 5%-palladium/activated carbon / methanol / 30 °C / 2250.23 Torr

2: hydrogenchloride / Isopropyl acetate / 0 °C

With hydrogenchloride; 5%-palladium/activated carbon; hydrogen; In methanol; Isopropyl acetate;

upstream raw materials:

3-(4-propyl-heptyl)-4-(2-hydroxyethyl)-morpholine

4-(2-hydroxyethyl)morpholin-3-one

4-cyclopropylheptan-4-ol

Refernces

• 1、 -. "PREPARATION OF DELMOPINOL". Page/Page column 18. . Retrieved 2008/06/13.