Hexanoic anhydride

Base Information

• Chemical Name: Hexanoic anhydride
• CAS No.: 2051-49-2
• Molecular Formula: C12H22O3
• Molecular Weight: 214.305
• Hs Code.: 29159000
• European Community (EC) Number: 218-121-4
• UNII: GG70Y8LTBY
• DSSTox Substance ID: DTXSID20870929
• Nikkaji Number: J95.911A
• Wikidata: Q27279092
• Mol file: 2051-49-2.mol

Synonyms:Hexanoic anhydride;2051-49-2;Caproic anhydride;hexanoyl hexanoate;Hexanoic acid, anhydride;Hexanoic acid, 1,1'-anhydride;n-Hexanoic anhydride;HexanoicAnhydride;Caproic acid anhydride;Capronic acid anhydride;n-Hexanoic acid anhydride;Capronic anhydride;Hexanoyl anhydride;hexanoic acid anhydride;UNII-GG70Y8LTBY;GG70Y8LTBY;EINECS 218-121-4;AI3-06132;EC 218-121-4;n-Caproic anhydride;MFCD00009509;Hexanoic anhydride, 97%;hexanoic acid hexanoyl ester;SCHEMBL1783;DTXSID20870929;AKOS015950716;HY-W127410;AS-18084;PERFLUOROCYCLOHEXANECARBONYLCHLORIDE;CS-0185644;FT-0627035;Hexanoic anhydride, purum, >=97.0% (GC);F87206;A814628;J-013374;Q27279092

Chemical Property of Hexanoic anhydride

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.0263mmHg at 25°C
• Melting Point: -40 °C
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 246.999 °C at 760 mmHg
• Flash Point: 116.614 °C
• PSA: 43.37000
• Density: 0.943 g/cm³
• LogP: 3.21680
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Solubility.: ethanol: soluble1g/10 mL, clear, colorless
• Water Solubility.: Hydrolyzes in water.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 167

Purity/Quality:

99.9% ^*data from raw suppliers

Hexanoic anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Acid Anhydrides, Other
• Canonical SMILES: CCCCCC(=O)OC(=O)CCCCC
• Uses: Hexanoic anhydride has been used in:green synthesis of esters of acyclovir (acyclovir prodrugs)preparation of hexanoyl-modified chitosan nanoparticles and chitosan-based polymeric surfactants via N-acylation of chitosans Hexanoic anhydride was used in:green synthesis of esters of acyclovir (acyclovir prodrugs)preparation of hexanoyl-modified chitosan nanoparticlespreparation of chitosan-based polymeric surfactants via N-acylation of chitosans Hexanoic Anhydride, is used as a reactant in the total synthesis of acremomannolipin A via steroselective β-mannosylation of 4,6,-O-benzylidene-protected mannosyl sulfoxide with a D-mannitol derivative.

Technology Process of Hexanoic anhydride

There total 19 articles about Hexanoic anhydride 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: 99.0%

hexanoic acid (142-62-1) → n-hexanoic anhydride (2051-49-2)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1002/chem.201601284

Reference yield: 91.0%

4,5-dichloro-2-hexanoyl-2H-pyridazin-3-one (450408-65-8) → 4,5-dichloro-2H-pyridazin-3-one (932-22-9) + n-hexanoic anhydride (2051-49-2)

Guidance literature:

With zinc(II) chloride; In acetonitrile; for 6h; Heating;

DOI:10.1081/SCC-200048939

Reference yield: 71.0%

Hexanoyl chloride (142-61-0) → n-hexanoic anhydride (2051-49-2)

Guidance literature:

With N,N-dimethyl-formamide; zinc; In pentane; at 20 ℃; for 20h;

DOI:10.1016/j.tetlet.2008.06.073

upstream raw materials:

acetic acid hexanoic acid-anhydride

acetic anhydride

hexanoic acid

Ketene

Downstream raw materials:

hexanoic acid-(2-hydroxy-propyl ester)

2-hexanoylamino-2-deoxy-D-glucose

2-hexanoyl-cyclohexanone

2-Amino-5-pentyl-1,3,4-oxadiazol

Refernces

• 1、 Lee, Yunsu,Choi, Jae-Wook,Suh, Dong Jin,Ha, Jeong-Myeong,Lee, Chang-Ha. "Ketonization of hexanoic acid to diesel-blendable 6-undecanone on the stable zirconia aerogel catalyst". . p. 288 - 293. Retrieved 2015.
• 2、 Serieys, Audrey,Botuha, Candice,Chemla, Fabrice,Ferreira, Franck,Pérez-Luna, Alejandro. "Zinc(0)/dimethylformamide-mediated synthesis of symmetrical carboxylic anhydrides from acid chlorides". . p. 5322 - 5323. Retrieved 2008/12/22.