3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate

Base Information

• Chemical Name: 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate
• CAS No.: 85703-73-7
• Molecular Formula: C₂₈H₅₃N₂O₇PS
• Molecular Weight: 592.778
• DSSTox Substance ID: DTXSID40276040,DTXSID701006301
• Wikidata: Q27076930
• Pharos Ligand ID: 77C4ZRQFWS9J
• ChEMBL ID: CHEMBL295212
• Mol file: 85703-73-7.mol

Synonyms:2-methoxy-3-(octadecylcarbamoyloxy)propyl-2-(3-thiazolinium) ethyl phosphate;3-(N-n-octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate;3-MOTP;CV 3988;CV-3988;CV3988

Chemical Property of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate

Chemical Property:

• Melting Point: 198-203℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 148.08000
• Density: g/cm³
• LogP: 8.00100
• Storage Temp.: −20°C
• Solubility.: ethanol: 15 mg/mL
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 28
• Exact Mass: 592.33111021
• Heavy Atom Count: 39
• Complexity: 625

Purity/Quality:

99% ^*data from raw suppliers

CV-3988 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCC[N+]1=CSC=C1)OC
• Uses: CV-3988 is a specific antagonist of PAF binding to PAF-R.

Technology Process of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate

There total 5 articles about 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate 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:

nonadecanoic acid (646-30-0) → CV-3988 (85703-73-7)

Guidance literature:

Multi-step reaction with 5 steps

1: diphenylphosphoroazidate, triethylamine / toluene

2: 8.2 g / pyridine / Ambient temperature

3: pyridine / benzene / 6 h / Ambient temperature

4: water / 1 h / Heating

5: benzene

With pyridine; diphenyl phosphoryl azide; water; triethylamine; In pyridine; toluene; benzene;

DOI:10.1248/cpb.32.2700

Reference yield:

octadecyl isocyanate (112-96-9) → CV-3988 (85703-73-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 8.2 g / pyridine / Ambient temperature

2: pyridine / benzene / 6 h / Ambient temperature

3: water / 1 h / Heating

4: benzene

With pyridine; water; In pyridine; benzene;

DOI:10.1248/cpb.32.2700

Reference yield:

3-(N-octadecylcarbamoyloxy)-2-methoxy-1-propanol (80350-03-4) → CV-3988 (85703-73-7)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / benzene / 6 h / Ambient temperature

2: water / 1 h / Heating

3: benzene

With pyridine; water; In benzene;

DOI:10.1248/cpb.32.2700

upstream raw materials:

1,3-thiazole

2-methoxy-3-(N-octadecyl)carbamoyloxypropyl 2-bromoethyl phosphate

nonadecanoic acid

octadecyl isocyanate

Refernces