Ptemc

Base Information

• Chemical Name: Ptemc
• CAS No.: 123875-01-4
• Molecular Formula: C₁₉H₂₃NO₄S
• Molecular Weight: 361.462
• DSSTox Substance ID: DTXSID60924617
• Nikkaji Number: J354.059F
• Wikidata: Q27088253
• Pharos Ligand ID: WGNJGF2VY98B
• ChEMBL ID: CHEMBL107881,CHEMBL1395565
• Mol file: 123875-01-4.mol

Synonyms:2-(phenylthio)ethyl-5-methoxycarbonyl-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate;3-(2-(phenylthio)ethyl)-5-methoxycarbonyl-4-methyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate;PCA 4248;PCA-4248;PTEMC

Chemical Property of Ptemc

Chemical Property:

• Vapor Pressure: 4.95E-10mmHg at 25°C
• Boiling Point: 497.4°Cat760mmHg
• Flash Point: 254.6°C
• Density: 1.21g/cm³
• Storage Temp.: Desiccate at -20°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 361.13477939
• Heavy Atom Count: 25
• Complexity: 576

Purity/Quality:

98%Min ^*data from raw suppliers

PCA4248 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=C(NC(=C1C(=O)OCCSC2=CC=CC=C2)C)C)C(=O)OC
• Uses: PCA 4248 is a competitive inhibitor of PAF at the PAF-R level.

Technology Process of Ptemc

There total 13 articles about Ptemc 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: 59.0%

2-(phenylthio)ethyl-acetylacetate (100303-72-8) + methyl (E)-3-aminocrotonate (14205-39-1) + acetaldehyde (75-07-0,9002-91-9) → PCA 4248 (123875-01-4,142592-28-7,142592-29-8)

Guidance literature:

In ethanol; for 8h; Heating;

DOI:10.1021/jm00174a017

Reference yield: 23.0%

2-(phenylthio)ethanol (699-12-7) + (-)-1,4-dihydro-5-methoxycarbonyl-2,4,6-trimethyl-3-pyridinecarboxylic acid (141600-70-6) → (+)-methyl 2-(phenylthio)ethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate (123875-01-4,142592-28-7,142592-29-8)

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1248/cpb.40.1083

Reference yield: 8.0%

(-)-2-(phenylthio)ethanol pivaloyloxymethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate (142592-30-1) → (-)-methyl 2-(phenylthio)ethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate (123875-01-4,142592-28-7,142592-29-8)

Guidance literature:

With potassium hydroxide; In methanol; for 2h;

DOI:10.1248/cpb.45.863

upstream raw materials:

2-(phenylthio)ethyl-acetylacetate

methyl (E)-3-aminocrotonate

acetaldehyde

2-(phenylthio)ethanol

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 123875-01-4 2-phenylsulfanylethyl methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-d icarboxylate

Send

Send

Metric Ton KG G Pound L ML

Send

Send