Butylmalonic acid

Product Information

Molecular Formula:
C7H12O4
Molecular Weight:
160.17
Description
Butylmalonic acid is a biomedicine widely used in the pharmaceutical industry as an intermediate for the synthesis of numerous drugs. It plays a crucial role in treating various diseases, including cancer, as a component of chemotherapy drugs. Its unique chemical properties make it an essential compound in drug discovery and development processes.
Synonyms
1,1-Pentanedicarboxylic acid; 2-Butylmalonate; 2-Butylmalonic acid; 2-n-Butylmalonic acid; alpha-Carboxycaproic acid; Butylmalonate; Malonic acid, butyl-; Propanedioic acid, butyl-
IUPAC Name
2-butylpropanedioic acid
Canonical SMILES
CCCCC(C(=O)O)C(=O)O
InChI
InChI=1S/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
InChI Key
MCRZWYDXIGCFKO-UHFFFAOYSA-N
Boiling Point
333.1°C at 760 mmHg
Melting Point
102-105°C
Flash Point
Not applicable
Purity
95%
Density
1.197 g/cm3
Appearance
White crystal
Storage
Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3
1.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
160.07355886 g/mol
Monoisotopic Mass
160.07355886 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
139
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113337202-A UV (ultraviolet) finish paint as well as preparation method and application thereof 2021-06-30
CN-113101937-A Doped mixed-valence copper catalyst and preparation method and application thereof 2021-04-25
JP-2021036056-A Double-sided adhesive sheet 2020-12-03
JP-2021038404-A Aqueous pigment dispersion and water-based ink for inkjet recording containing it 2020-11-17
JP-2021011582-A Surface protective film 2020-10-16
WO-2022054912-A1 Resin composition, cured product and manufacturing method therefor, and laminate 2020-09-11
JP-2022033641-A Light irradiation molded body 2020-08-17
JP-2022033642-A Light irradiation molded body 2020-08-17
JP-2022027027-A Photocurable resin composition 2020-07-31
JP-2022027496-A Photocurable resin composition 2020-07-31

Literatures

PMID Publication Date Title Journal
22133302 2012-01-01 Ethylmalonic acid impairs brain mitochondrial succinate and malate transport Molecular genetics and metabolism
20949348 2011-01-01 The dicarboxylate carrier plays a role in mitochondrial malate transport and in the regulation of glucose-stimulated insulin secretion from rat pancreatic beta cells Diabetologia
20538765 2010-08-01 Dicarboxylate carrier-mediated glutathione transport is essential for reactive oxygen species homeostasis and normal respiration in rat brain mitochondria American journal of physiology. Cell physiology
18491907 2008-06-18 Total synthesis of (+/-)-actinophyllic acid Journal of the American Chemical Society
18374655 2008-06-01 Hepatic mitochondrial transport of glutathione: studies in isolated rat liver mitochondria and H4IIE rat hepatoma cells Archives of biochemistry and biophysics
17928289 2007-12-07 A role for ATP-citrate lyase, malic enzyme, and pyruvate/citrate cycling in glucose-induced insulin secretion The Journal of biological chemistry
17567097 2007-06-21 Bidentate dicarboxylate capping groups and photosensitizers control the size of IrO2 nanoparticle catalysts for water oxidation The journal of physical chemistry. B
16176879 2005-11-01 Differential inhibitory effect of long-chain acyl-CoA esters on succinate and glutamate transport into rat liver mitochondria and its possible implications for long-chain fatty acid oxidation defects Molecular genetics and metabolism
16061228 2005-08-15 Regulation of uncoupling protein activity in phosphorylating potato tuber mitochondria FEBS letters
15862280 2005-05-01 Essential role of citrate export from mitochondria at early differentiation stage of 3T3-L1 cells for their effective differentiation into fat cells, as revealed by studies using specific inhibitors of mitochondrial di- and tricarboxylate carriers Molecular genetics and metabolism
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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