Valeric anhydride

Base Information

• Chemical Name: Valeric anhydride
• CAS No.: 2082-59-9
• Molecular Formula: C10H18O3
• Molecular Weight: 186.251
• Hs Code.: 29159000
• European Community (EC) Number: 218-212-9
• UNII: N9B5ZQ67R5
• DSSTox Substance ID: DTXSID70870934
• Nikkaji Number: J7.319I
• Wikidata: Q72515982
• Mol file: 2082-59-9.mol

Synonyms:Valeric anhydride;2082-59-9;pentanoyl pentanoate;Pentanoic anhydride;n-Valeric anhydride;VALERICANHYDRIDE;Pentanoic acid, anhydride;Pentanoic acid, 1,1'-anhydride;N9B5ZQ67R5;MFCD00009477;n-pentanoic anhydride;valeric acid anhydride;pentanoic acid anhydride;Valeric anhydride, 97%;UNII-N9B5ZQ67R5;SCHEMBL242588;DUCKXCGALKOSJF-UHFFFAOYSA-;DTXSID70870934;EINECS 218-212-9;AKOS015918324;HY-W099747;CS-0152389;FT-0634021;V0006;Valeric anhydride, purum, >=98.0% (NT);E70315;EN300-7400928;J-013658;F0001-0745

Chemical Property of Valeric anhydride

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.0758mmHg at 25°C
• Melting Point: −56 °C(lit.)
• Refractive Index: n20/D 1.421(lit.)
• Boiling Point: 228-230 °C at 760 mmHg
• Flash Point: 101.1 °C
• PSA: 43.37000
• Density: 0.959 g/cm³
• LogP: 2.43660
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

98% ^*data from raw suppliers

Valeric anhydride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(=O)OC(=O)CCCC
• Uses: Valeric Anhydride is used in the synthesis of non-imadazole histamine H3-antagonists. Also used in the preparation of millepachine derivatives as a new class of tubulin polymerization inhibitors. Valeric anhydride can be used as a reactant to synthesize:Alkyl 9-nitrocamptothecin esters by the esterification reaction.Modified bismuth metal-organic frameworks (Bi-MOFs).O-acylated chitosan nanofibers (CSNFs) for potential usage in biomaterials and food packaging.

Technology Process of Valeric anhydride

There total 18 articles about Valeric 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%

n-butyllithium (109-72-8,29786-93-4) + 1-(methoxycarbonyl)pyridine-1-ium chloride (86950-96-1) → pentanoic anhydride (2082-59-9)

Guidance literature:

In tetrahydrofuran; at -78 ℃;

DOI:10.1016/S0040-4039(00)81774-8

Reference yield: 94.0%

valeric acid (109-52-4) → pentanoic anhydride (2082-59-9)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; Ambient temperature;

Reference yield: 67.5%

valeric acid (109-52-4) → pentanoic anhydride (2082-59-9) + n-valeryl chloride (638-29-9)

Guidance literature:

With phosphorus trichloride; at 40 - 50 ℃; 4-5h;

DOI:10.1007/BF00960670

upstream raw materials:

acetic acid valeric acid-anhydride

acetic anhydride

valeric acid

acetyl chloride

Downstream raw materials:

1-furan-2-yl-pentan-1-one

6-ethyl-3-valeryl-pyran-2,4-dione

2,4,6-triiodo-3,5-bis-valerylamino-benzoic acid

2-[(1-oxopentyl)oxy]-benzoic acid

Refernces

• 1、 -. "PROCESSES FOR PREPARING 4-METHYL-5-NONANONE AND 4-METHYL-5-NONANOL". Paragraph 0183-0189. . Retrieved 2020/07/14.
• 2、 Li, Kah-Yee,Jiang, Jianbing,Witte, Martin D.,Kallemeijn, Wouter W.,Donker-Koopman, Wilma E.,Boot, Rolf G.,Aerts, Johannes M. F. G.,Code, Jeroen D. C.,Van Der Marel, Gijsbert A.,Overkleeft, Herman S.. "Exploring functional cyclophellitol analogues as human retaining beta-glucosidase inhibitors". . p. 7786 - 7791. Retrieved 2014/12/10.