alpha-Tocopherol phosphate

Base Information

• Chemical Name: alpha-Tocopherol phosphate
• CAS No.: 38976-17-9
• Deprecated CAS: 911633-20-0
• Molecular Formula: C₂₉H₅₁O₅P
• Molecular Weight: 510.695
• Hs Code.: 9999999999
• European Community (EC) Number: 254-231-9
• UNII: V7EZ83SETP,P7Q15MLX1X
• DSSTox Substance ID: DTXSID50221445,DTXSID50902489
• Nikkaji Number: J313.906I
• Wikidata: Q83099203
• ChEMBL ID: CHEMBL4211176
• Mol file: 38976-17-9.mol

Synonyms:alpha-tocopherol phosphate;alpha-tocopherol phosphate, disodium salt (2R*(4R*,8R*))-(+-)-isomer;alpha-tocopherol phosphate, sodium salt (2R-(2R*(4R*,8R*)))-isomer;alpha-tocopheryl phosphate;alpha-tocopherylphosphate;sodium alpha-tocopherol phosphate;tocopheryl phosphate

Chemical Property of alpha-Tocopherol phosphate

Chemical Property:

• Vapor Pressure: 5.35E-16mmHg at 25°C
• Boiling Point: 615.3°Cat760mmHg
• Flash Point: 325.9°C
• PSA: 85.80000
• Density: 1.04g/cm³
• LogP: 8.60610
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 510.34741172
• Heavy Atom Count: 35
• Complexity: 664

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OP(=O)(O)O)C
• Isomeric SMILES: CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OP(=O)(O)O)C

Technology Process of alpha-Tocopherol phosphate

There total 3 articles about alpha-Tocopherol 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: 70.0%

P,P'-Bis-(DL-α-tocopheryl) diphosphate (87291-72-3) → DL-α-Tocopheryl phosphate (2312-88-1,38976-17-9,71276-50-1)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1007/BF00765776

Reference yield:

→ dl-α-tocopheryl phospate (38976-17-9,71276-50-1,2312-88-1)

Guidance literature:

5, Pyridin/W.;

Reference yield:

DL-α-Tocopheryl phosphate dianilide (87291-70-1) → DL-α-Tocopheryl phosphate (2312-88-1,38976-17-9,71276-50-1)

Guidance literature:

With isopentyl nitrite; In pyridine; acetic acid; for 20h; Yield given;

DOI:10.1007/BF00765776

upstream raw materials:

DL-α-Tocopheryl phosphate dianilide

P,P'-Bis-(DL-α-tocopheryl) diphosphate

Refernces