Batyl alcohol

Base Information

• Chemical Name: Batyl alcohol
• CAS No.: 544-62-7
• Deprecated CAS: 10438-95-6
• Molecular Formula: C21H44O3
• Molecular Weight: 344.579
• Hs Code.: 29094990
• European Community (EC) Number: 273-607-3,208-874-7
• NSC Number: 284200,8716
• UNII: 39YR661C4U
• DSSTox Substance ID: DTXSID0047799
• Nikkaji Number: J6.419J
• Wikidata: Q27115823
• NCI Thesaurus Code: C166663
• ChEMBL ID: CHEMBL1482516
• Mol file: 544-62-7.mol

Synonyms:1-O-octadecylglycerol;3-octadecyloxy-propane-1,2-diol;batyl alcohol;batyl alcohol, (DL)-isomer;batyl alcohol, (R)-isomer;batyl alcohol, (S)-isomer;glyceryl 1-octadecyl ether

Chemical Property of Batyl alcohol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 71-73 °C(lit.)
• Refractive Index: 1.465
• Boiling Point: 471.1 °C at 760 mmHg
• PKA: 13.68±0.20(Predicted)
• Flash Point: 238.7 °C
• PSA: 49.69000
• Density: 0.914 g/cm³
• LogP: 5.61770
• Storage Temp.: -15°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Heated)
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 344.32904526
• Heavy Atom Count: 24
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Batyl Alcohol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Other Classes -> Other Organic Compounds
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOCC(CO)O
• Uses: Batyl Alcohol is used to synthesize amphiphilic alkylglycerolipids with antitumor activities. It is also used in cosmetic compounds for prevention or treatment of erythema or dermatitis or promotion of wound healing.

Technology Process of Batyl alcohol

There total 27 articles about Batyl alcohol 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: 96.0%

4-(n-octadecyloxymethyl)-2,2-dimethyl-1,3-dioxolane (16725-43-2) → batyl alcohol (544-62-7)

Guidance literature:

With hydrogenchloride; In water; for 4h; Reflux;

DOI:10.3390/md16040101

Reference yield: 73.0%

Methyl stearate (112-61-8) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → batyl alcohol (544-62-7) + 2-octadecyloxy-propane-1,3-diol (927-18-4,87515-28-4)

Guidance literature:

With 5%-palladium/activated carbon; camphor-10-sulfonic acid; hydrogen; at 120 ℃; for 16h; under 37503.8 Torr; regioselective reaction; Autoclave;

DOI:10.1039/c3gc36907b

Reference yield: 65.0%

1-[(prop-2'-en-1'-yl)oxy]octadecane (25580-78-3) → batyl alcohol (544-62-7)

Guidance literature:

With cethyltrimethylammonium permanganate; In dichloromethane; at 20 ℃; for 5h;

upstream raw materials:

1-[(prop-2'-en-1'-yl)oxy]octadecane

1-octadecyl methanesulfonate

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

n-octadecyl p-toluenesulfonate

Downstream raw materials:

1-octadecyloxy-3-trityloxy-propan-2-ol

19-oxaheptatriacontane

1,2,3-tri(octadecyloxy)propane

1,3-bis(octadecyloxy)-2-propanol

Refernces

• 1、 Alam, Md. Maqusood,Hassan, Ahmed H.E.,Lee, Kun Won,Cho, Min Chang,Yang, Ji Seul,Song, Jiho,Min, Kyung Hoon,Hong, Jongki,Kim, Dong-Hyun,Lee, Yong Sup. "Design, synthesis and cytotoxicity of chimeric erlotinib-alkylphospholipid hybrids". supporting information. p. 51 - 62. Retrieved 2018/11/27.
• 2、 Pinault, Michelle,Guimaraes, Cyrille,Couthon, Hélène,Thibonnet, Jér?me,Fontaine, Delphine,Chant?me, Aurélie,Chevalier, Stephan,Besson, Pierre,Jaffrès, Paul-Alain,Vandier, Christophe. "Synthesis of alkyl-glycerolipids standards for gas chromatography analysis: Application for chimera and shark liver oils". . . Retrieved 2018/04/16.