3-(3-tert-Butoxy-3-oxo-2-palmitamidopropylthio)-propane-1,2-diyl dipalmitate

Base Information

• Chemical Name: 3-(3-tert-Butoxy-3-oxo-2-palmitamidopropylthio)-propane-1,2-diyl dipalmitate
• CAS No.: 87363-03-9
• Molecular Formula: C₅₈H₁₁₁NO₇S
• Molecular Weight: 966.588
• DSSTox Substance ID: DTXSID70596187
• Mol file: 87363-03-9.mol

Synonyms:87363-03-9;3-(3-tert-Butoxy-3-oxo-2-palmitamidopropylthio)-propane-1,2-diyl dipalmitate;[3-[2-(hexadecanoylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate;3-((3-(tert-Butoxy)-3-oxo-2-palmitamidopropyl)thio)propane-1,2-diyl dipalmitate;3-(3-tert-butoxy-3-oxo-2-palmitamidopropylthio)propane-1,2-diyl dipalmitate;DTXSID70596187;AKOS015839811;3-((3-(tert-Butoxy)-3-oxo-2-palmitamidopropyl)thio)propane-1,2-diyldipalmitate;3-{[3-tert-Butoxy-2-(hexadecanoylamino)-3-oxopropyl]sulfanyl}propane-1,2-diyl dihexadecanoate;Hexadecanoic acid,1-[[[(2R)-3-(1,1-dimethylethoxy)-3-oxo-2-[(1-oxohexadecyl)amino]propyl]thio]methyl]-1,2-ethanediylester(9ci)

Chemical Property of 3-(3-tert-Butoxy-3-oxo-2-palmitamidopropylthio)-propane-1,2-diyl dipalmitate

Chemical Property:

• Vapor Pressure: 1.47E-33mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 905 °C at 760 mmHg
• Flash Point: 501.1 °C
• PSA: 133.30000
• Density: 0.95 g/cm³
• LogP: 17.83590
• XLogP3: 23
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 55
• Exact Mass: 965.80812605
• Heavy Atom Count: 67
• Complexity: 1130

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-tert-Butoxy-3-oxo-2-palmitamidopropylthio)-propane-1,2-diyl dipalmitate 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)OC(C)(C)C

Technology Process of 3-(3-tert-Butoxy-3-oxo-2-palmitamidopropylthio)-propane-1,2-diyl dipalmitate

There total 10 articles about 3-(3-tert-Butoxy-3-oxo-2-palmitamidopropylthio)-propane-1,2-diyl dipalmitate 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: 71.33%

1-hexadecylcarboxylic acid (57-10-3) + N-fluorenylmethoxycarbonyl-S-[2,3-bis(palmitoyloxy)-(2R)-propyl]-(R)-cysteine tert-butyl ester (139573-75-4) → S-[2,3-bis(palmitoyloxy)-(2S)-propyl]-N-palmitoyl-(R)-cysteine tert-butyl ester (87420-44-8,87363-03-9)

Guidance literature:

N-fluorenylmethoxycarbonyl-S-[2,3-bis(palmitoyloxy)-(2R)-propyl]-(R)-cysteine tert-butyl ester; With diethylamine; In dichloromethane; acetonitrile; at 20 ℃; for 2h; Inert atmosphere;

1-hexadecylcarboxylic acid; With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 5h; Inert atmosphere;

Reference yield: 71.0%

1-hexadecylcarboxylic acid (57-10-3) + N-fluorenylmethoxycarbonyl-S-[2,3-bis(palmitoyloxy)-(2S)-propyl]-(R)-cysteine tert-butyl ester (139573-76-5) → S-[2,3-bis(palmitoyloxy)-(2S)-propyl]-N-palmitoyl-(R)-cysteine tert-butyl ester (87420-44-8,87363-03-9)

Guidance literature:

N-fluorenylmethoxycarbonyl-S-[2,3-bis(palmitoyloxy)-(2S)-propyl]-(R)-cysteine tert-butyl ester; With diethylamine; In dichloromethane; acetonitrile; at 20 ℃; for 2h; Inert atmosphere;

1-hexadecylcarboxylic acid; With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/acschembio.8b00312

Reference yield:

1-hexadecylcarboxylic acid (57-10-3) → S-[2,3-bis(palmitoyloxy)-(2S)-propyl]-N-palmitoyl-(R)-cysteine tert-butyl ester (87420-44-8,87363-03-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 percent / DIPC; DMAP / tetrahydrofuran / 2 h

2: piperidine / dimethylformamide / 2 h

3: HONB; DIPC / CH₂Cl₂; dimethylformamide / 16 h

With piperidine; dmap; bis-2-propyl carbonate; (3aR,4R,7S,7aS)-2-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (N-hydroxy-5-exo-norbornene-2,3-dicarboximide); In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; 1: Esterification / 2: deprotection / 3: Esterification;

DOI:10.1021/ja991319q

upstream raw materials:

1-hexadecylcarboxylic acid

N-fluorenylmethoxycarbonyl-S-[2,3-bis(palmitoyloxy)-(2S)-propyl]-(R)-cysteine tert-butyl ester

(2R,6S)-2-(9-Fluorenylmethoxycarbonyl)amino-6,7-dihydroxy-4-thiaheptanoic acid tert-butyl ester

N-fluorenylmethoxycarbonyl-S-[2,3-bis(palmitoyloxy)-(2R)-propyl]-(R)-cysteine tert-butyl ester

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 87363-03-9 3-(3-tert-butoxy-3-oxo-2-palmitamidopropylthio)propane-1,2-diyl dipalmitate

Send

Send

Metric Ton KG G Pound L ML

Send

Send