Lapyrium chloride

Base Information

• Chemical Name: Lapyrium chloride
• CAS No.: 6272-74-8
• Deprecated CAS: 1341-07-7
• Molecular Formula: C21H35ClN2O3
• Molecular Weight: 398.974
• European Community (EC) Number: 228-464-1
• NSC Number: 33659
• UNII: 732T8851QH
• DSSTox Substance ID: DTXSID5042085
• Wikidata: Q27266118
• NCI Thesaurus Code: C87262
• ChEMBL ID: CHEMBL1201787
• Mol file: 6272-74-8.mol

Synonyms:lapyrium;lapyrium chloride

Chemical Property of Lapyrium chloride

Chemical Property:

• Melting Point: 141-144oC
• PSA: 59.28000
• LogP: 0.94930
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 398.2336207
• Heavy Atom Count: 27
• Complexity: 368

Purity/Quality:

99% ^*data from raw suppliers

1-(2-((2-(Dodecanoyloxy)ethyl)amino)-2-oxoethyl)pyridin-1-ium chloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-]
• Uses: Pharmaceutic aid (surfactant).

Technology Process of Lapyrium chloride

There total 4 articles about Lapyrium 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: 87.0%

2-(2-chloroacetylamino)ethyl dodecanoate (873009-81-5) + pyridine (110-86-1) → 1-[(2-dodecanoyloxyethylcarbamoyl)methyl]pyridinium chloride (6272-74-8)

Guidance literature:

at 20 ℃;

DOI:10.1002/ejoc.200500388

Reference yield:

lauric acid (143-07-7) → 1-[(2-dodecanoyloxyethylcarbamoyl)methyl]pyridinium chloride (6272-74-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / Lipozyme RM 1 M / acetone / 24 h / 20 °C / Enzymatic reaction

2: 87 percent / 20 °C

With Lipozyme RM 1 M; In acetone;

DOI:10.1002/ejoc.200500388

Reference yield:

ethyl laurate (106-33-2) → 1-[(2-dodecanoyloxyethylcarbamoyl)methyl]pyridinium chloride (6272-74-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / Lipozyme RM 1 M / acetone / 24 h / 20 °C / Enzymatic reaction

2: 87 percent / 20 °C

With Lipozyme RM 1 M; In acetone;

DOI:10.1002/ejoc.200500388

upstream raw materials:

n-dodecanoyl chloride

2-chloro-N-2-hydroxyethylacetamide

2-(2-chloroacetylamino)ethyl dodecanoate

pyridine

Refernces