4-Methylmorpholin-4-ium;chloride

Base Information

• Chemical Name: 4-Methylmorpholin-4-ium;chloride
• CAS No.: 3651-67-0
• Molecular Formula: C5H11 N O . Cl H
• Molecular Weight: 137.609
• Hs Code.: 2934999090
• Mol file: 3651-67-0.mol

Synonyms:SCHEMBL12005489

Chemical Property of 4-Methylmorpholin-4-ium;chloride

Chemical Property:

• Melting Point: 203-211 °C
• Boiling Point: 114.1°Cat760mmHg
• Flash Point: 23.9°C
• PSA: 12.47000
• Density: 0.931g/cm³
• LogP: 0.68830
• Storage Temp.: Flammables area
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.0607417
• Heavy Atom Count: 8
• Complexity: 54.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-MethylmorpholineHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+]1CCOCC1.[Cl-]

Technology Process of 4-Methylmorpholin-4-ium;chloride

There total 20 articles about 4-Methylmorpholin-4-ium;chloride 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: 100.0%

4-methyl-morpholine (109-02-4) + 2-chloro-4,6-dimethoxy-1 ,3,5-triazine (3140-73-6) + (4S,5R)-2,4-diphenyl-4,5-dihydrooxazole-5-carboxylic acid (158722-22-6) → N-methylmorpholine hydrochloride (3651-67-0)

Guidance literature:

4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; In tetrahydrofuran; at 0 - 5 ℃; for 0.5h;

(4S,5R)-2,4-diphenyl-4,5-dihydrooxazole-5-carboxylic acid; In tetrahydrofuran; at 0 - 20 ℃; for 12h;

Reference yield: 100.0%

(4S,5R)-2,4-diphenyl-4,5-dihydrooxazole-5-carboxylic acid (158722-22-6) + 4-(4,6-diphenoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride → N-methylmorpholine hydrochloride (3651-67-0)

Guidance literature:

In tetrahydrofuran; for 12h;

Reference yield: 100.0%

C25H23NO6 + 4-(4,6-diphenoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride → N-methylmorpholine hydrochloride (3651-67-0)

Guidance literature:

In tetrahydrofuran; for 12h;

upstream raw materials:

(3R)-3-dodecanoyloxytetradecanoic acid

isobutyl chloroformate

(4S,5R)-2,4-diphenyl-4,5-dihydrooxazole-5-carboxylic acid

1-[(2-aminoethyl)sulfanyl]ethan-1-one hydrochloride

Downstream raw materials:

1-methyl-4-phenylpiperazine

4-methylmorpholine - borane (1/1)

1-methyl-piperazine

Refernces

• 1、 Wang, Hongli,Huang, Yongji,Dai, Xingchao,Shi, Feng. "N -Monomethylation of amines using paraformaldehyde and H2". supporting information. p. 5542 - 5545. Retrieved 2017/07/06.
• 2、 Chiappe, Cinzia,Rajamani, Sunita,D'Andrea, Felicia. "A dramatic effect of the ionic liquid structure in esterification reactions in protic ionic media". . p. 137 - 143. Retrieved 2013/02/25.