2-Ethylbutyric anhydride

Base Information

• Chemical Name: 2-Ethylbutyric anhydride
• CAS No.: 54502-37-3
• Molecular Formula: C12H22 O3
• Molecular Weight: 214.305
• Hs Code.: 2915900090
• European Community (EC) Number: 259-187-4
• NSC Number: 67901
• UNII: 9DT9S9P8TF
• DSSTox Substance ID: DTXSID30202914
• Nikkaji Number: J266.899H
• Wikidata: Q72473413
• Mol file: 54502-37-3.mol

Synonyms:2-Ethylbutyric anhydride;54502-37-3;2-ethylbutanoic anhydride;2-ethylbutanoyl 2-ethylbutanoate;Diethylacetic anhydride;9DT9S9P8TF;2-Ethylbutyric acid anhydride;EINECS 259-187-4;NSC-67901;Butanoic acid, 2-ethyl-, anhydride;2-ethylbutanoicanhydride;UNII-9DT9S9P8TF;Bis(2-ethylbutanoic)anhydride;SCHEMBL247701;2-ethyl-butyric acid anhydride;DTXSID30202914;Butanoic acid, 2-ethyl, anhydride;BBL011531;MFCD00042894;NSC 67901;STL146647;AKOS005720806;VS-02969;BUTYRIC ACID, 2-ETHYL-, ANHYDRIDE;4,4-Dibromo-1,1-spirobiindane-7,7-diol;FT-0762074

Chemical Property of 2-Ethylbutyric anhydride

Chemical Property:

• Vapor Pressure: 0.0296mmHg at 25°C
• Refractive Index: n20/D 1.425
• Boiling Point: 245℃
• Flash Point: 107℃
• PSA: 43.37000
• Density: 0.927 g/mL at 20 °C(lit.)
• LogP: 2.92860
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

Diethylacetic anhydride ^*data from reagent suppliers

Safty Information:

• 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:

• Canonical SMILES: CCC(CC)C(=O)OC(=O)C(CC)CC

Technology Process of 2-Ethylbutyric anhydride

There total 5 articles about 2-Ethylbutyric 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: 98.2%

2-Ethylbutanoic acid (88-09-5) → 2-ethylbutyric anhydride (54502-37-3)

Guidance literature:

With triethylamine; chlorophosphoric acid diphenyl ester; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1248/cpb.51.175

Reference yield: 60.0%

chlorure d'acide ethyl-2 butyrique (2736-40-5) + 2-ethylbutyric acid sodium salt → 2-ethylbutyric anhydride (54502-37-3)

Guidance literature:

In toluene; for 1.25h; Heating;

DOI:10.1039/b713899g

Reference yield:

→ 2-ethylbutyric anhydride (54502-37-3)

Guidance literature:

With benzene; oder Kochen mit einem indifferentes Loesungsmittel;

upstream raw materials:

2-Ethylbutanoic acid

chlorure d'acide ethyl-2 butyrique

Downstream raw materials:

(S)-1-(1-Naphthyl)ethanol

(R)-1-(naphth-1-yl)ethanol

(R)-1,1'-Bi-2-naphthol

(S)-[1,1']-binaphthalenyl-2,2'-diol

Refernces

• 1、 Tsang, Wing-Yin,Ahmed, Naveed,Hemming, Karl,Page, Michael I.. "Reactivity and selectivity in the inhibition of elastase by 3-oxo-β-sultams and in their hydrolysis". . p. 3993 - 4000. Retrieved 2008/09/21.
• 2、 Rich, Daniel H.,Bernartowicz, Michael S.. "Synthesis of Analogues of the Carboxyl Protease Inhibitor Pepstatin. Effect of Structure in Subsite P3 on Inhibition of Pepsin". . p. 791 - 795. Retrieved 2007/10/02.