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Ethyl 2-(dimethoxyphosphinothioylthio)-2-phenylacetate

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Identification
Molecular formula
C12H17O4PS
CAS number
13071-79-9
IUPAC name
ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenyl-acetate
State
State

At room temperature, this compound is typically found in a liquid state. It is usually stored in tightly sealed containers to avoid degradation and exposure to atmospheric moisture.

Melting point (Celsius)
-10.00
Melting point (Kelvin)
263.15
Boiling point (Celsius)
360.00
Boiling point (Kelvin)
633.15
General information
Molecular weight
322.33g/mol
Molar mass
322.3330g/mol
Density
1.2700g/cm3
Appearence

This compound is usually characterized as a colorless to pale yellow liquid. Its appearance can vary slightly depending on the level of purity, but generally, it is a transparent liquid under standard conditions.

Comment on solubility

Solubility of Ethyl 2-Dimethoxyphosphinothioylsulfanyl-2-phenyl-acetate

The solubility of ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenyl-acetate in various solvents is an interesting topic, given its unique chemical structure. This compound, containing both ethyl and phenyl groups, interacts distinctly with different solvents, which can affect its dissolution behavior.

The following points highlight its solubility characteristics:

  • Polar solvents: Compounds with significant polar functional groups often exhibit better solubility in polar solvents such as water or methanol. The presence of the dimethoxy groups may enhance solubility in these environments.
  • Non-polar solvents: Conversely, its large phenyl and ethyl groups may favor increased solubility in non-polar solvents like hexane or toluene, owing to hydrophobic interactions.
  • Temperature dependence: The solubility may also vary with temperature; generally, solubility increases in many compounds as temperature rises, so elevating the temperature could aid in dissolving this compound in specific solvents.
  • Concentration effects: Saturation levels can influence solubility, where higher concentrations might lead to precipitate formation rather than complete dissolution.

In summary, the solubility profile of ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenyl-acetate is nuanced and highly dependent on the solvent characteristics and ambient conditions. Understanding these solubility dynamics can provide valuable insights for application in various chemical processes.

Interesting facts

Interesting Facts about Ethyl 2-Dimethoxyphosphinothioylsulfanyl-2-Phenyl-Acetate

The compound known as ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenyl-acetate represents a fascinating intersection of organic chemistry and phosphorous chemistry. This compound is notable for its unique structure and potential applications.

Unique Structural Features

  • Phosphorus-Containing Compound: This compound is a phosphinate derivative, showcasing the versatility and importance of phosphorus in organic synthesis.
  • Sulfanyl Group: The presence of the sulfanyl (-SH) group adds an interesting reactivity profile, making it an intriguing candidate for various chemical reactions.
  • Dimethoxy Functionalities: The dimethoxy groups enhance the stability and reactivity patterns of the compound, allowing it to engage in a variety of chemical interactions.

Potential Applications

Due to its structural characteristics, ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenyl-acetate may have several promising applications, including:

  • Agricultural Chemistry: It could serve as a precursor or intermediate in the synthesis of agrochemicals, including pesticides and herbicides.
  • Biotechnology: The molecule's properties might make it useful in bioconjugation techniques, enhancing the delivery systems for bioactive compounds.
  • Material Science: Its unique chemical structure could find applications in developing novel materials with unique physical properties.

Chemical Reactivity

This compound's chemistry is rich and varied:

  • Nucleophilic Reactions: Due to its phosphinothioyl grouping, it can act as a nucleophile in various synthetic methodologies.
  • Potential for Derivatization: The functional groups present make it amenable to further chemical modifications, broadening its utility in research.

In summary, ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenyl-acetate exemplifies a complex and intriguing compound with great potential across multiple fields of chemistry. Its unique properties and functional groups not only highlight the importance of phosphorus chemistry but also make it a valuable subject of study for chemists and industry professionals alike.

Synonyms
PHENTHOATE
2597-03-7
Fenthoate
Dimephenthioate
Dimephenthoate
Phendal
Papthion
Cidial
Tagson
Tsidial
Elsan
Dimefenthoat
Cidemul
Montecatini L-561
ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate
61391-87-5
Bayer 18510
ENT 27386GC
OMS 1075
BAY 33051
ENT 27386
NSC 190978
BRN 2474108
TH 346-1
Ethyl alpha-((dimethoxyphosphenothioyl)thio)benzeneacetate
O,O-Dimethyl S-alpha-Ethoxycarbonylbenzyl phosphorodithioate
DTXSID6042280
CHEBI:34917
ETHYL 2-DIMETHOXYPHOSPHINOTHIOYLSULFANYL-2-PHENYL-ACETATE
S 2940
J96Q7F091K
O,O-Dimethyl S-(1-carboethoxybenzyl) dithiophosphate
Acetic acid, mercaptophenyl-, ethyl ester, S-ester with O,O-dimethyl phosphorodithioate
Ethyl mercaptophenylacetate-O,O-dimethylphosphorodithioate
O,O-Dimethyl S-(phenyl)(carboethoxy)methyl phosphorodithioate
Phenthoate (>90%)
(Dimethyl S-(phenylethoxycarbonylmethyl)phosphorothiolothionate)
Acetic acid, (O,O-dimethyldithiophosphorylphenyl)-, ethyl ester
dl-Papthion
d-Papthion
l-Papthion
O,O-Dimethyl-S-(phenylacetic acid ethyl ester) phosphorodithioate
Ethyl [(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate
Dimethenthoate
O,O-Dimethyl S-.alpha.-Ethoxycarbonylbenzyl phosphorodithioate
S-.alpha.-Ethoxycarbonylbenzyl dimethyl phosphorothiolothionate
2-(dimethoxyphosphinothioylthio)-2-phenylacetic acid ethyl ester
S-[alpha-(Ethoxycarbonyl)benzyl] O,O-dimethyl phosphorodithioate
Benzeneacetic acid, .alpha.-[(dimethoxyphosphinothioyl)thio]-, ethyl ester
Cidial ULV
Elsan ULV
Phenthoate 50 EC
Caswell No. 427B
Phenthoate [BSI:ISO]
Phentoate
Aimsan
CCRIS 3399
ETHYL ((DIMETHOXYPHOSPHOROTHIOYL)SULFANYL)(PHENYL)ACETATE
S-[.alpha.-(Ethoxycarbonyl)benzyl] O,O-dimethyl phosphorodithioate
Bay 18510
S-(.ALPHA.-(ETHOXYCARBONYL)BENZYL) O,O-DIMETHYL PHOSPHORODITHIOATE
HSDB 1708
BENZENEACETIC ACID, .ALPHA.-((DIMETHOXYPHOSPHINOTHIOYL)THIO)-, ETHYL ESTER
TH-346-I
EINECS 219-997-0
ENT 23,438
EPA Pesticide Chemical Code 104901
Rogodial (Salt/Mix)
AI3-27386
PHENTHOATE [ISO]
PHENTHOATE [HSDB]
L-561
(+)-alpha-((Dimethoxyphosphinothioyl)thio)benzeneacetic acid ethyl ester
(-)-alpha-((Dimethoxyphosphinothioyl)thio)benzeneacetic acid ethyl ester
Benzeneacetic acid, alpha-((dimethoxyphosphinothioyl)thio)-, ethyl ester
(+-)-alpha-((Dimethoxyphosphinothioyl)thio)benzeneacetic acid ethyl ester
Benzeneacetic acid, alpha-((dimethoxyphosphinothioyl)thio)-, ethyl ester, (+)-
Benzeneacetic acid, alpha-((dimethoxyphosphinothioyl)thio)-, ethyl ester, (+-)-
Benzeneacetic acid, alpha-((dimethoxyphosphinothioyl)thio)-, ethyl ester, (-)-
Ethyl O,O-dimethylphosphorodithioylphenylacetate
Bayer 18,510
(+/-)-PHENTHOATE
Ethyl O,O-dimethylphosphorodithioyl phenyl acetate
SCHEMBL27217
Ethyl 2-dimethoxyphosphinothioylthio(phenyl)acetate
Ethyl 2-dimethoxythiophosphorylthio-2-phenylacetate
UNII-J96Q7F091K
CHEMBL1476858
DTXCID4022280
BAYER-18510
PHENTHOATE, (+/-)-
XAMUDJHXFNRLCY-UHFFFAOYSA-
Ethyl alpha-((dimethoxyphosphinothioyl)thio)benzeneacetate
Ethyl mercaptophenylacetate O,O-dimethyl phosphorodithioate
O,O-Dimethyl S-(alpha-ethoxycarbonylbenzyl) thiophosphate
BAYER-18,510
O,O-Dimethyl-S-(alpha-(carboethoxy)benzyl)phosphorodithioate
PHENTHOATE (PAP) FENTHOATE
S-alpha-Ethoxycarbonylbenzyl dimethyl phosphorothiolothionate
S-alpha-Ethoxycarbonylbenzyl O,O-dimethyl phosphorodithioate
Dimephenthoate; Elsan;ENT 23438
Ethyl ester of O,O-dimethyldithiophosphoryl alpha-phenyl acetate
MSK20125
Tox21_301564
BAY-33051
ENT 23438
Phenthoate 10 microg/mL in Isooctane
AKOS016014175
Ethyl mercaptophenylacetate S-ester with O,O-dimethyl phosphorodithioate
Phenthoate 100 microg/mL in Isooctane
Phenthoate 1000 microg/mL in Acetone
NCGC00166204-01
NCGC00255711-01
61361-99-7
61362-00-3
CAS-2597-03-7
DB-297385
HY-118165
CS-0065352
L 561
NS00004968
Phenthoate, PESTANAL(R), analytical standard
A805041
Ethyl O,O-dimethyl phosphorodithioylphenyl acetate
Q7181408
Ethyl .alpha.-((dimethoxyphosphenothioyl)thio)benzeneacetate
Ethyl [(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate #
ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenyl-ethanoate
ETHYL A-((DIMETHOXYPHOSPHINOTHIOYL)THIO)BENZENEACETATE
S-.alpha.-Ethoxycarbonylbenzyl-O,O-dimethyl phosphorodithioate
ETHYL .ALPHA.-((DIMETHOXYPHOSPHINOTHIOYL)THIO)BENZENEACETATE
Ethyl ester of O,O-dimethyldithiophosphoryl .alpha.-phenyl acetic acid
ACETIC ACID, MERCAPTOPHENYL-, ETHYL ESTER O,O-DIMETHYL PHOSPHORODITHIOATE
PHOSPHORODITHIOIC ACID O,O-DIMETHYL S-(ALPHA-(ETHOXYCARBONYL)BENZYL) ESTER
PHOSPHORODITHIOIC ACID, O,O-DIMETHYL ESTER, S-ESTER WITH ETHYL MERCAPTOPHENYLACETATE
InChI=1/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3