Heptanoic anhydride

Base Information

• Chemical Name: Heptanoic anhydride
• CAS No.: 626-27-7
• Molecular Formula: C14H26O3
• Molecular Weight: 242.359
• Hs Code.: 29159000
• European Community (EC) Number: 210-940-5
• NSC Number: 67902
• DSSTox Substance ID: DTXSID301014661
• Nikkaji Number: J95.487J
• Mol file: 626-27-7.mol

Synonyms:Heptanoic anhydride;626-27-7;Enanthic anhydride;Heptanoic acid, anhydride;heptanoyl heptanoate;Heptanoyl anhydride;n-Heptanoic acid anhydride;n-Heptanoic anhydride;Heptanoic acid, 1,1'-anhydride;heptanoic acid anhydride;EINECS 210-940-5;NSC 67902;AI3-06144;Oenanthic anhydride;Bisenanthic anhydride;enanthic acid anhydride;AJMALICINEHYDROCHLORIDE;SCHEMBL37242;heptanoic acid heptanoyl ester;DTXSID301014661;NSC67902;MFCD00009536;NSC-67902;AKOS025396821;CS-0187437;FT-0626925;H0353

Chemical Property of Heptanoic anhydride

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.00723mmHg at 25°C
• Melting Point: -12 °C
• Refractive Index: 1.432-1.434
• Boiling Point: 269.5 °C at 760 mmHg
• Flash Point: 129.9 °C
• PSA: 43.37000
• Density: 0.931 g/cm³
• LogP: 3.99700
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 242.18819469
• Heavy Atom Count: 17
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

Heptanoic Anhydride >97.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OC(=O)CCCCCC

Technology Process of Heptanoic anhydride

There total 10 articles about Heptanoic 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: 97.0%

oenanthic acid (111-14-8) → n-heptanoic anhydride (626-27-7)

Guidance literature:

With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1055/s-1981-29544

Reference yield: 75.0%

hexanoic acid (142-62-1) → n-heptanoic anhydride (626-27-7)

Guidance literature:

hexanoic acid; With potassium carbonate; In water; Microwave irradiation;

With p-toluenesulfonyl chloride; In acetonitrile; for 1.5h; Sonication;

DOI:10.2174/1570178614666170329153759

Reference yield: 59.0%

Heptanoic acid chloride (2528-61-2) → heptanal (111-71-7) + n-heptanoic anhydride (626-27-7) + 7-tetradecene-7,8-diol diheptanoate (137721-14-3)

Guidance literature:

With controlled-potential electrolyses, (mercury pool cathode vs. saturated cadmium amalgam reference electrode at -1.50 V, n = 0.88 C, tetra-n-butylammonium perchlorate); In acetonitrile; Product distribution; Mechanism; other electrodes and potentials; evidence for generation of the heptanoyl radical in presence of deuteriated solvents;

DOI:10.1021/jo00028a080

upstream raw materials:

heptanal

oenanthic acid

Heptanoic acid chloride

n-heptan1ol

Downstream raw materials:

N,N'-dicyclohexyl-N-heptanoyl-urea

Heptanoic acid (3-propionylamino-phenyl)-amide

Heptanoic acid (3-isobutyrylamino-phenyl)-amide

Heptanophenone

Refernces

• 1、 -. "METHOD FOR PRODUCING CARBOXYLIC ACID ANHYDRIDE AND METHOD FOR PRODUCING CARBOXYLIC ACID ESTER". Page/Page column 0076. . Retrieved 2017/04/18.
• 2、 Kashparova,Papina,Kashparov,Zhukova, I. Yu.,Ilchibaeva,Kagan, E. Sh.. "One-pot electrochemical synthesis of acid anhydrides from alcohols". . p. 2733 - 2735. Retrieved 2017/12/26.