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Ioxynil Octanoate

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Identification
Molecular formula
C18H22Cl2N2O3
CAS number
21087-64-9
IUPAC name
5-tert-butyl-3-(2,4-dichloro-5-isopropoxy-phenyl)-1,3,4-oxadiazol-2-one
State
State

At room temperature, the chemical exists in a solid state, appearing as crystalline powder.

Melting point (Celsius)
120.00
Melting point (Kelvin)
393.15
Boiling point (Celsius)
355.00
Boiling point (Kelvin)
628.15
General information
Molecular weight
389.23g/mol
Molar mass
389.2300g/mol
Density
1.3500g/cm3
Appearence

5-tert-butyl-3-(2,4-dichloro-5-isopropoxy-phenyl)-1,3,4-oxadiazol-2-one appears as a colorless to pale yellow crystalline solid. It is often commercialized for its selective control of broad-leaved weeds in cereals and is a technical product used in various herbicidal formulations.

Comment on solubility

Solubility of 5-tert-butyl-3-(2,4-dichloro-5-isopropoxy-phenyl)-1,3,4-oxadiazol-2-one

The solubility of 5-tert-butyl-3-(2,4-dichloro-5-isopropoxy-phenyl)-1,3,4-oxadiazol-2-one in various solvents can greatly influence its application in chemical research and industry. This compound is characterized by its complex structure, which often affects how well it dissolves in different media.

Solubility Characteristics:

  • Polar Solvents: Generally, compounds with polar functional groups tend to have better solubility in polar solvents, such as water and alcohols. However, due to the hydrophobic tert-butyl and isopropoxy groups, this compound may exhibit limited solubility in water.
  • Nonpolar Solvents: The presence of nonpolar alkyl groups likely enhances its solubility in nonpolar solvents like hexane and benzene, where such organic compounds are often more soluble.
  • Temperature Dependence: Solubility can be affected by temperature; typically, an increase in temperature can increase solubility in many organic solvents.

It is essential to note that the precise solubility can vary based on several factors, including:

  1. Purity of the compound
  2. Presence of impurities or additives
  3. Specific experimental conditions, such as agitation

In summary, understanding the solubility of 5-tert-butyl-3-(2,4-dichloro-5-isopropoxy-phenyl)-1,3,4-oxadiazol-2-one is crucial for optimizing its use in formulations and reactions. As the saying goes, "Like dissolves like," highlighting the importance of matching solvent properties to the compound's structure for optimal solubility.

Interesting facts

5-tert-butyl-3-(2,4-dichloro-5-isopropoxy-phenyl)-1,3,4-oxadiazol-2-one: An Overview

5-tert-butyl-3-(2,4-dichloro-5-isopropoxy-phenyl)-1,3,4-oxadiazol-2-one is a fascinating compound that falls within the category of heterocyclic compounds. These compounds are characterized by the presence of a ring structure that includes at least one atom that is not carbon. In the case of this compound, the oxadiazole ring contributes to its significant biological activity and chemical properties.

Unique Features

  • Oxadiazole Ring: The oxadiazole ring plays a crucial role in the compound's reactivity and properties, making it valuable in pharmacology.
  • Substituted Aromatic Compounds: The presence of 2,4-dichloro and isopropoxy substituents enhances the compound's chemical behavior and may influence its biological activity.
  • Potential Applications: Compounds of this nature have been studied for their potential use in developing pharmaceuticals, particularly due to their varied biological activities.

Biological Importance

Research indicates that oxadiazole derivatives are gaining attention for their various biological properties, including:

  • Antimicrobial Activity: Many oxadiazole compounds exhibit significant antimicrobial properties, which may lead to the development of new antibiotics.
  • Anti-inflammatory Properties: Some compounds in this class have shown promise in reducing inflammation, which could be essential in treating chronic diseases.
  • Antitumor Activity: Certain derivatives have demonstrated anticancer effects, making them candidates for cancer treatment research.

As a chemical scientist, the exploration of compounds like 5-tert-butyl-3-(2,4-dichloro-5-isopropoxy-phenyl)-1,3,4-oxadiazol-2-one offers exciting opportunities to innovate and enhance our understanding of medicinal chemistry. The synergy of its various functional groups and the potential for bioactivity highlight the importance of such compounds in future scientific advancements.

Synonyms
OXADIAZON
19666-30-9
Ronstar
Oxadiazone
RP 17623
G 315
C6U0E0YTP6
DTXSID3024239
5-tert-Butyl-3-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one
DTXCID304239
3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
RP-17623
3-[2,4-Dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
2-(tert-butyl)-4-(2,4-dichloro-5-isopropyloxy-phenyl) delta(2)-1,3,4-oxadiazoline-5-one
5-tert-butyl-3-(2,4-dichloro-5-(propan-2-yloxy)phenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one
243-215-7
RefChem:857019
Oxydiazon
5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one
5-(tert-Butyl)-3-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
MFCD00128056
CHEBI:81786
1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-
Oxadiazon 10 microg/mL in Cyclohexane
Oxadiazon 10 microg/mL in Acetonitrile
Oxadiazon 100 microg/mL in Cyclohexane
1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-
Caswell No. 624A
Oxadiazon [ISO]
1,3,4-Oxadiazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-
Oxadiazon [ANSI:BSI:ISO]
CAS-19666-30-9
C15H18Cl2N2O3
HSDB 6936
EINECS 243-215-7
UNII-C6U0E0YTP6
EPA Pesticide Chemical Code 109001
BRN 0558070
Scotts OH I
Ronstar 50W
Oxadiazon in Acetone
Oxadiazon (Standard)
OXADIAZON [MI]
OXADIAZON [HSDB]
Ronstar 2G (Salt/Mix)
2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one
3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one
SCHEMBL38813
orb341601
CHEMBL1080648
SCHEMBL29423792
CHNUNORXWHYHNE-UHFFFAOYSA-
HY-B1880R
GLXC-25524
HY-B1880
Tox21_201877
Tox21_300668
BDBM50359941
AKOS015917677
CS-5211
DS-6328
2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one
2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazoline-5-one
delta(sup 2)-1,3,4-Oxadiazolin-5-one, 2-tert-butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-
s10397
NCGC00163727-01
NCGC00163727-02
NCGC00163727-03
NCGC00163727-04
NCGC00163727-05
NCGC00254576-01
NCGC00259426-01
17623 RP
AC-12699
DB-044937
RP 17,623
NS00008448
Oxadiazon, PESTANAL(R), analytical standard
C18496
Q1691365
3-(2,4-Dichloro-5-isopropyloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one
5-t-butyl-3-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-2-one
5-tert-butyl-3-(2,4-dichloro-5-isopropoxy-phenyl)-1,3,4-oxadiazol-2-one
.DELTA.2-1,3,4-Oxadiazolin-5-one, 2-tert-butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-
.DELTA.2-1,3,4-Oxadiazolin-5-one, 2-tert-butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-
3-(2,4-Dichloro-5-isopropyloxy-phenyl)-.delta.4-5-(tert-butyl)-1,3,4-oxadiazoline-2-one
5-tert-Butyl-3-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazol-2(3H)-one #
3-[2,4-dichloro-5-(1-methyl ethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
InChI=1/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
S6Z