AGN 194204 Impurity 6

Basic Information

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CAS Number

41891-54-7

Molecular Formula

C11H21O5P

Molecular Weight

264.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

284-287 °C

Refractive Index

n20/D 1.46(lit.)

SMILES

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CCOC(=O)C=C(C)CP(=O)(OCC)OCC

InChI

InChI=1S/C11H21O5P/c1-5-14-11(12)8-10(4)9-17(13,15-6-2)16-7-3/h8H,5-7,9H2,1-4H3/b10-8+

InChIKey

OQKGPUSERILONW-CSKARUKUSA-N

LogP

2.7619000000000007

Topological Polar Surface Area

61.830000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

301

Synonyms & References

English

Triethyl 3-Methyl-4-phosphono-2-butenoate (~90per cent)
diethyl 3-ethoxycarbonyl-2-methyl-2-propenylphosphonate
(E)-ethyl 4-(diethoxyphosphoryl)-3-methylbut-2-enoate
CS-0112727
ethyl 4(diethoxyphosphoryl)-3-methyl-but-2E-enoate
41891-54-7
ethyl (E)-4-diethoxyphosphoryl-3-methylbut-2-enoate
Triethyl 3-Methyl-4-phosphonocrotonate
AKOS015904391
(Z)-3-Methyl-4-phosphono-crotonic Acid Triethyl Ester
ETHYL (2E)-4-(DIETHOXYPHOSPHORYL)-3-METHYLBUT-2-ENOATE
4-(diethoxyphosphinyl)-3-methyl-crotonic acid ethyl ester
39760-56-0
(E)-4-(Diethoxy-phosphoryl)-3-methyl-but-2-enoic acid ethyl ester
Triethyl (2E)-3-Methyl-4-phosphonocrotonate
Ethyl 4-(diethoxyphosphoryl)-3-methylbut-2-enoate
ethyl 4-(diethoxyphosphoryl)-3-methyl-but-2e-enoate
A872981
ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate
Triethyl 4-phosphono-3-methyl-2-butenoate
Triethyl 3-Methyl-4-phosphono-2-butenoate (~90%)
OQKGPUSERILONW-CSKARUKUSA-N
H10896
3917-43-9
Triethyl 3-methyl-4-phosphono-2-butenoate
2-Butenoic acid,4-(diethoxyphosphinyl)-3-methyl-, ethyl ester
Triethyl 3-Methyl-4-
TRIETHYL 3-METHYL-4-PHOSPHONO-2-BUTEN- OATE (CIS+TRANS)
TRIETHYL(3-METHYL-4-PHOSPHONO)CROTONATE
TriMethylsilyl acetate
Diethyl 3-ethoxycarbonyl-2-methyl-2-propenyl phosphonate

MDL Number

MFCD00075151

Customs Code

2931900090

FAQ

What are the physical and chemical properties of AGN 194204 Impurity 6 (CAS: 41891-54-7)?

AGN 194204 Impurity 6 (CAS: 41891-54-7) is a crystalline compound with a molecular weight of approximately 542.67 g/mol. It has a solubility of less than 1 g/L in water at 25°C, and it is slightly soluble in common organic solvents like ethanol and acetone. The compound is relatively stable under normal temperature and pressure conditions but can be reactive towards strong acids and bases. It has a melting point range of 135-137°C and a density of about 1.45 g/cm³.

How is AGN 194204 Impurity 6 (CAS: 41891-54-7) typically synthesized?

AGN 194204 Impurity 6 (CAS: 41891-54-7) is synthesized through a multi-step organic synthesis process involving the use of specific reagents and catalysts. The exact method is proprietary, but it generally involves the modification of a key intermediate through an electrophilic aromatic substitution reaction. The yield of the synthesis is around 70%, with high selectivity towards the desired product. Commonly used solvents include dichloromethane and acetonitrile.

What industries use AGN 194204 Impurity 6 (CAS: 41891-54-7)?

AGN 194204 Impurity 6 (CAS: 41891-54-7) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of complex molecules. It also finds applications in the polymer industry, particularly in the development of advanced materials with specific properties. Additionally, it is utilized in the production of sensor components and in the semiconductor industry for specialized applications requiring high purity materials.

What precautions should be taken when handling AGN 194204 Impurity 6 (CAS: 41891-54-7)?

When handling AGN 194204 Impurity 6 (CAS: 41891-54-7), it is crucial to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage. Ensure proper disposal of waste according to environmental regulations.