1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate

Base Information

• Chemical Name: 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate
• CAS No.: 17966-25-5
• Molecular Formula: C39H77 O8 P
• Molecular Weight: 705.009
• Hs Code.: 2931900090
• European Community (EC) Number: 241-890-2
• DSSTox Substance ID: DTXSID50939250
• Nikkaji Number: J260.809J
• Mol file: 17966-25-5.mol

Synonyms:17966-25-5;1-[(PHOSPHONOOXY)METHYL]ETHANE-1,2-DIYL DISTEARATE;(2-octadecanoyloxy-3-phosphonooxypropyl) octadecanoate;EINECS 241-890-2;Distearoylphosphatidic acid;1-((Phosphonooxy)methyl)ethane-1,2-diyl distearate;Octadecanoic acid, 1-((phosphonooxy)methyl)-1,2-ethanediyl ester;Octadecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester;3-(phosphonooxy)propane-1,2-diyl dioctadecanoate;SCHEMBL7807531;C39H77O8P;DTXSID50939250;CHEBI:176709;C39-H77-O8-P;PA 18:0_18:0;3-(Phosphonooxy)-1,2-propanediyl dioctadecanoate;Bisoctadecanoic acid 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester

Chemical Property of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate

Chemical Property:

• Vapor Pressure: 3.25E-24mmHg at 25°C
• Boiling Point: 743.9°Cat760mmHg
• Flash Point: 403.7°C
• PSA: 151.17000
• Density: 0.999g/cm³
• LogP: 12.53460
• XLogP3: 15.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 40
• Exact Mass: 704.53560641
• Heavy Atom Count: 48
• Complexity: 756

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC

Technology Process of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate

There total 20 articles about 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate 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: 80.0%

Octadecanoic acid 2-[bis-(9H-fluoren-9-ylmethoxy)-phosphoryloxy]-1-octadecanoyloxymethyl-ethyl ester (197709-13-0) → 1,2-di-O-stearoyl-rac-3-glycerophosphate (17966-25-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; for 5h; Ambient temperature;

DOI:10.1016/S0040-4039(97)85781-4

Reference yield: 56.0%

C45H93O8PSi2 (73022-69-2) → 1,2-di-O-stearoyl-rac-3-glycerophosphate (17966-25-5)

Guidance literature:

With water; In methanol; at 50 ℃; for 2h;

DOI:10.1055/s-1982-29715

Reference yield: 42.0%

phosphoric acid benzyl ester-(2,3-bis-stearoyloxy-propyl ester) (75269-69-1) → 1,2-di-O-stearoyl-rac-3-glycerophosphate (17966-25-5)

Guidance literature:

With hydrogen; palladium; In methanol; chloroform; for 1h;

upstream raw materials:

1,3-distearoylglycerol

(+/-)-O¹-diphenoxyphosphoryl-O²,O³-distearoyl-glycerol

phosphoric acid benzyl ester-(2,3-bis-stearoyloxy-propyl ester)

C₄₅H₉₃O₈PSi₂

Downstream raw materials:

glycerol 2-phosphate, free acid

lysophosphatidic acid

stearic acid

1⁽³⁾-O-(1,2-di-O-stearoyl-rac-glycero-3-O-phospho)-3⁽¹⁾,6⁽⁴⁾-di-O-benzyl-4⁽⁶⁾,5-bis-O-dianilidophospho-sn-myo-inositol

Refernces

• 1、 Nifantyev, E. E.,Predvoditelev, D. A.,Fursenko, I. V.,Smirnova, L. I.. "Synthesis of Alkyl Carboxylates by Acylation of Acetals". . p. 132 - 134. Retrieved 2007/10/02.