[(2S)-2-hydroxy-3-phenylmethoxypropyl] octadecanoate

Base Information

• Chemical Name: [(2S)-2-hydroxy-3-phenylmethoxypropyl] octadecanoate
• CAS No.: 988-76-1
• Molecular Formula: C₂₈H₄₈O₄
• Molecular Weight: 448.687
• DSSTox Substance ID: DTXSID601174884
• Nikkaji Number: J71.711H
• Mol file: 988-76-1.mol

Synonyms:988-76-1;SCHEMBL2420679;DTXSID601174884;Octadecanoic acid, (2S)-2-hydroxy-3-(phenylmethoxy)propyl ester

Chemical Property of [(2S)-2-hydroxy-3-phenylmethoxypropyl] octadecanoate

Chemical Property:

• XLogP3: 9.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 23
• Exact Mass: 448.35526001
• Heavy Atom Count: 32
• Complexity: 406

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COCC1=CC=CC=C1)O
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COCC1=CC=CC=C1)O

Technology Process of [(2S)-2-hydroxy-3-phenylmethoxypropyl] octadecanoate

There total 9 articles about [(2S)-2-hydroxy-3-phenylmethoxypropyl] octadecanoate 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: 66.0%

(R)-3-benzyloxy-1,2-propanediol (56552-80-8) + stearic acid (57-11-4) → 3-O-Benzyl-1-O-octadecanoyl-sn-glycerin (4145-51-1,6236-22-2,116947-35-4,988-76-1)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 19h; Inert atmosphere;

DOI:10.1002/cmdc.201100291

Reference yield: 60.0%

(R)-3-benzyloxy-1,2-propanediol (56552-80-8) + Stearoyl chloride (112-76-5) → 3-O-Benzyl-1-O-octadecanoyl-sn-glycerin (4145-51-1,6236-22-2,116947-35-4,988-76-1)

Guidance literature:

With dmap; In pyridine; dichloromethane;

DOI:10.1016/S0040-4039(98)02151-0

Reference yield: 38.0%

(R)-3-benzyloxy-1,2-propanediol (56552-80-8) + Stearoyl chloride (112-76-5) → β-Stearoyl-D-α-glycerylbenzylaether (14952-08-0) + 3-O-Benzyl-1-O-octadecanoyl-sn-glycerin (4145-51-1,6236-22-2,116947-35-4,988-76-1) + 3-O-benzyl-1,2-dioctadecanoyl-sn-glycerol (56586-08-4,7145-33-7)

Guidance literature:

With pyridine; In tetrahydrofuran; Ambient temperature;

DOI:10.1002/hlca.19820650339

upstream raw materials:

(R)-3-benzyloxy-1,2-propanediol

Stearoyl chloride

benzyl bromide

(S)-4-(benzyloxymethyl)-2,2-dimethyl-1,3-dioxolane

Downstream raw materials:

1-O-stearoyl-2-O-octanoyl-3-O-benzyl-sn-glycerol

Octadecanoic acid (S)-3-benzyloxy-2-dodecanoyloxy-propyl ester

3-O-benzyl-1,2-dioctadecanoyl-sn-glycerol

3-O-benzyl-2-O-hexadecanoyl-1-O-octadecanoyl-sn-glycerol

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