4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid

Basic Information

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CAS Number

125926-17-2

Molecular Formula

C24H31NO6

Molecular Weight

429.51 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O

InChI

InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)

InChIKey

FFYNAVGJSYHHFO-UHFFFAOYSA-N

LogP

3.197400000000001

Topological Polar Surface Area

85.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

540

Synonyms & References

English

SCHEMBL49197
125926-17-2
CHEMBL541829
BDBM50093789
CHEMBL52939
4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
Q44931
SR-01000883998-1
(- )-2-(Dimethylamino)-1-((o-(m-methoxyphenethyl)phenoxy)methyl)ethyl hydrogen succinate.
19P708E787
CS-0002654
Sarpogrelate
BCP08179
BUTANEDIOIC ACID, MONO(2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL) ESTER
NCGC00167489-01
HY-10563
4-(1-(2-(3-METHOXYPHENETHYL)PHENOXY)-3-(DIMETHYLAMINO)PROPAN-2-YLOXY)-4-OXOBUTANOIC ACID SARPOGRELATE
J-513134
LS-187,118
SR-01000883998
D08508
4-((1-(Dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yl)oxy)-4-oxobutanoic acid
DTXSID7048328
Succinic acid mono-(2-dimethylamino-1-{2-[2-(3-methoxy-phenyl)-ethyl]-phenoxymethyl}-ethyl) ester; hydrochloride
L000858
Sarpogrelate (INN)
NCGC00167489-03
GTPL210
SARPOGRELATE [WHO-DD]
NCGC00167489-02
(+-)-2-(Dimethylamino)-1-((o-(m-methoxyphenethyl)phenoxy)methyl)ethyl hydrogen succinate

MDL Number

MFCD00866779

FAQ

What are the physical and chemical properties of 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid (CAS: 125926-17-2)?

4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid is a white crystalline solid. Its molecular weight is approximately 519.62 g/mol. The compound is moderately soluble in water and highly soluble in organic solvents such as methanol and acetonitrile. It is reactive towards nucleophiles and can undergo substitution reactions.

How is 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid (CAS: 125926-17-2) typically synthesized?

4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid can be synthesized through multi-step reactions involving coupling, alkylation, and oxidation. Commonly, the synthesis involves protecting groups and selective functional group transformations. The yield is typically around 70-80%, and the selectivity is high for the desired product.

What industries use 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid (CAS: 125926-17-2)?

4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in drug synthesis and can be incorporated into polymer formulations for specific applications such as sensors and semiconductors.

What precautions should be taken when handling 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid (CAS: 125926-17-2)?

When handling 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. In case of a spill, immediately clean up by using absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid | CAS No. 125926-17-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid (CAS: 125926-17-2)?

How is 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid (CAS: 125926-17-2) typically synthesized?

What industries use 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid (CAS: 125926-17-2)?

What precautions should be taken when handling 4-{[1-(Dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}-2-propanyl]oxy}-4-oxobutanoic acid (CAS: 125926-17-2)?

Related Compounds

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