Isobutyric anhydride

Base Information

• Chemical Name: Isobutyric anhydride
• CAS No.: 97-72-3
• Deprecated CAS: 1366133-49-4
• Molecular Formula: C8H14O3
• Molecular Weight: 158.197
• Hs Code.: 2915.90 Oral rat LD50: 265 mg/kg
• European Community (EC) Number: 202-603-6
• UN Number: 2924,2530
• UNII: N85A80FJDT
• DSSTox Substance ID: DTXSID7026609
• Nikkaji Number: J38.161F
• Wikidata: Q26840869
• Metabolomics Workbench ID: 125211
• ChEMBL ID: CHEMBL1871691
• Mol file: 97-72-3.mol

Synonyms:Isobutyric anhydride;97-72-3;Isobutyric acid anhydride;Propanoic acid, 2-methyl-, anhydride;2-METHYLPROPANOIC ANHYDRIDE;2-methylpropanoyl 2-methylpropanoate;Isobutyryl anhydride;2-Methylpropionic anhydride;isobutanoic anhydride;2-Methylpropanoic acid anhydride;UNII-N85A80FJDT;N85A80FJDT;DTXSID7026609;Propanoic acid, 2-methyl-, 1,1'-anhydride;CHEBI:84261;HSDB 5309;EINECS 202-603-6;UN2530;AI3-28521;EC 202-603-6;Isobutyricanhydride;isobutylic anhydride;Isobutryic anhydride;isosmoersyreanhydrid-;Isobutyrate anhydride;MFCD00008913;isobutyric anhydride;iso-Butyric anhydride;(iso-C3H7CO)2O;Isobutyric anhydride, 97%;SCHEMBL16250;DTXCID406609;CHEMBL1871691;Tox21_201002;NA2530;STL185650;AKOS009029112;UN 2530;CAS-97-72-3;ISOBUTYRIC ACID ANHYDRIDE [HSDB];NCGC00164355-01;NCGC00164355-02;NCGC00258555-01;BS-22314;FT-0627383;I0111;EN300-19271;Isobutyric anhydride, purum, >=98.0% (GC);P20008;Isobutyric anhydride [UN2530] [Flammable liquid];(2-Methylpropionic anhydride);Q26840869;F0001-2307;2-thiophenecarboxaldehyde, 5-[[5-[(5-methoxy-2-thienyl)ethynyl]-2-thienyl]ethynyl]-

Chemical Property of Isobutyric anhydride

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 10 mm Hg ( 67 °C)
• Melting Point: -53 °C
• Refractive Index: n20/D 1.406(lit.)
• Boiling Point: 183.6 °C at 760 mmHg
• Flash Point: 59.4 °C
• PSA: 43.37000
• Density: 0.977 g/cm³
• LogP: 1.36820
• Storage Temp.: Store at 0°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: decomposes
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 141
• Transport DOT Label: Flammable Liquid Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Isobutyric Anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-21/22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Acid Anhydrides, Other
• Canonical SMILES: CC(C)C(=O)OC(=O)C(C)C
• Uses: Isobutyric anhydride was used in the synthesis of 4-O-isobutyryl derivative via reaction with octyl β-D-glucopyranoside in the presence of C2-symmetric chiral 4-pyrrolidinopyridine as a catalyst.

Technology Process of Isobutyric anhydride

There total 17 articles about Isobutyric 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: 96.0%

isobutyric Acid (79-31-2) → 2-Methylpropionic anhydride (97-72-3)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; Ambient temperature;

Reference yield: 86.0%

isobutyryl chloride (79-30-1) + isobutyric Acid (79-31-2) → 2-Methylpropionic anhydride (97-72-3)

Guidance literature:

resin-PPh₂-Co(PPh₃)2Cl₂; In dichloromethane; at 40 ℃; for 4h;

DOI:10.1021/jo0003293

Reference yield: 40.0%

isobutyraldehyde (78-84-2) → 2-Methylpropionic anhydride (97-72-3)

Guidance literature:

With oxygen; cobalt(II) chloride; In acetonitrile; at 25 ℃; for 15h;

DOI:10.1021/jo00072a041

upstream raw materials:

tetraisobutoxysilane

tetrakis-isobutyryloxy-silane

isobutyraldehyde

isobutyric Acid

Downstream raw materials:

N-(2-acetylphenyl)isobutyramide

bis-(4-isobutyrylamino-phenyl)-disulfide

2-methylpropanoic acid 4-fluorophenyl ester

(Z)-5-benzylidene-4-isobutyryloxy-3-phenylfuran-2(5H)-one

Refernces

• 1、 -. "PROCESS FOR PREPARING 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL". Paragraph 0088-0017. . Retrieved 2019/10/08.
• 2、 Gaspa, Silvia,Amura, Ida,Porcheddu, Andrea,De Luca, Lidia. "Anhydrides from aldehydes or alcohols via oxidative cross-coupling". supporting information. p. 931 - 939. Retrieved 2017/02/10.