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Isobutyric anhydride - 98%, high purity , CAS No.97-72-3
Basic Description
Synonyms
CAS-97-72-3 | EN300-19271 | Isobutyric anhydride | iso-Butyric anhydride | P20008 | 2-thiophenecarboxaldehyde, 5-[[5-[(5-methoxy-2-thienyl)ethynyl]-2-thienyl]ethynyl]- | 2-Methylpropanoic acid anhydride | ISOBUTYRIC ACID ANHYDRIDE [HSDB] | Propanoic acid,
Specifications & Purity
≥98%
Storage Temp
Argon charged
Shipped In
Normal
Product Description
The mechanism of esterification of 1-(1-naphthyl)ethanol by isobutyric anhydride with 4-pyrrolidinopyridine as catalyst was studied.
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Dicarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Dicarboxylic acids and derivatives
Alternative Parents
Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors
acyclic carboxylic anhydride
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-methylpropanoyl 2-methylpropanoate
INCHI
InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3
InChIKey
LSACYLWPPQLVSM-UHFFFAOYSA-N
Smiles
CC(C)C(=O)OC(=O)C(C)C
Isomeric SMILES
CC(C)C(=O)OC(=O)C(C)C
UN Number
2924
Packing Group
I
Molecular Weight
158.19
Beilstein
386267
Reaxy-Rn
386267
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386267&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Refractive Index
1.405-1.407
Flash Point(°F)
152°F
Flash Point(°C)
66.4°C
Boil Point(°C)
182 °C
Melt Point(°C)
-53°C
Molecular Weight
158.190 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
158.094 Da
Monoisotopic Mass
158.094 Da
Topological Polar Surface Area
43.400 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
141.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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11 Citations
B2327497