(+/-)-Panthenol triacetate

Base Information

• Chemical Name: (+/-)-Panthenol triacetate
• CAS No.: 94089-18-6
• Molecular Formula: C₁₅H₂₅NO₇
• Molecular Weight: 331.366
• European Community (EC) Number: 302-118-0,680-602-3
• UNII: H2UL4C07EZ
• DSSTox Substance ID: DTXSID30913432
• Nikkaji Number: J1.568.316C
• Wikidata: Q27279566
• Mol file: 94089-18-6.mol

Synonyms:(+/-)-Panthenol triacetate;Panthenol triacetate;DL-Panthenol triacetate;Panthenol triacetate, DL-;98133-47-2;Panthenol triacetate, (+/-)-;UNII-H2UL4C07EZ;H2UL4C07EZ;Butanamide, 2,4-bis(acetyloxy)-N-(3-(acetyloxy)propyl)-3,3-dimethyl-;Butyramide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, triacetate;3-[(2,4-diacetyloxy-3,3-dimethylbutanoyl)amino]propyl acetate;PANTHENYL TRIACETATE;UNII-1206E8961B;EINECS 302-118-0;Butanamide, 2,4-bis(acetyloxy)-N-[3-(acetyloxy)propyl]-3,3-dimethyl-;4-[(3-ACETOXYPROPYL)AMINO]-2,2-DIMETHYL-4-OXOBUTANE-1,3-DIYL DIACETATE;SCHEMBL146671;4-((3-Acetoxypropyl)amino)-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate;C15H25NO7;DTXSID30913432;Butanamide, 2,4-bis(acetyloxy)-N-[3-(acetyloxy)propyl]-3,3-dimethyl-, (R)-;C15-H25-N-O7;Q27279566;2,4-Diacetoxy-N-(3-acetoxypropyl)-3,3-dimethylbutanamide;2,4-Bis(acetyloxy)-N-[3-(acetyloxy)propyl]-3,3-dimethylbutanimidic acid;4- [(3- acetoxypropyl)amino]- 2, 2- dimethyl- 4- oxobutane- 1, 3- diyl diacetate

Chemical Property of (+/-)-Panthenol triacetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 471.9°Cat760mmHg
• Flash Point: 239.2°C
• Density: 1.131g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 331.16310214
• Heavy Atom Count: 23
• Complexity: 445

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCNC(=O)C(C(C)(C)COC(=O)C)OC(=O)C
• Uses: panthenyl triacetate is a panthotenic acid derivative with vitamin B activity.

Technology Process of (+/-)-Panthenol triacetate

There total 3 articles about (+/-)-Panthenol triacetate 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: 93.2%

pantothenol (81-13-0,1113-70-8) + acetic anhydride (108-24-7) → D-panthenol triacetate (94089-18-6)

Guidance literature:

pantothenol; acetic anhydride; With dmap; at 60 - 90 ℃; for 2h;

With acetic acid; In ethyl acetate; at 80 - 110 ℃; under 7.60051 Torr;

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + panthenol (50584-68-4,16485-10-2,1113-70-8) → Panthenol-triacetat (98133-47-2,94089-18-6) + C11H21NO5 (32484-53-0) + C13H23NO6 (1194728-05-6)

Guidance literature:

With Novozyme 435; In acetonitrile; at 30 ℃; regioselective reaction; Enzymatic reaction;

DOI:10.3109/10242422.2013.814644

Reference yield:

→ Panthenol-triacetat (98133-47-2,94089-18-6)

Guidance literature:

D(+)-Panthenol-diacetat(VI), Ac2O;

upstream raw materials:

vinyl acetate

panthenol

pantothenol

acetic anhydride

Refernces

• 1、 -. "Preparation method of D-panthenyl triacetate". Paragraph 0015. . Retrieved 2016/10/10.