CAS 127906-29-0

but-2-enedioic acid, 2-[2-(dimethylaminomethyl)phenyl]sulfanylbenzene- 1,4-diol

Description:

But-2-enedioic acid, 2-[2-(dimethylaminomethyl)phenyl]sulfanylbenzene-1,4-diol, identified by CAS number 127906-29-0, is a complex organic compound featuring multiple functional groups. It contains a butenedioic acid moiety, which is characterized by a double bond between the second and third carbon atoms of a four-carbon chain, along with two carboxylic acid groups. The presence of a dimethylaminomethyl group suggests basic properties, while the sulfanylbenzene component indicates potential reactivity due to the sulfur atom. The 1,4-diol structure implies the presence of hydroxyl groups, contributing to the compound's polarity and potential for hydrogen bonding. This compound may exhibit interesting chemical behavior, including potential applications in pharmaceuticals or as a chemical intermediate, owing to its diverse functional groups. Its solubility, stability, and reactivity would depend on the specific conditions, such as pH and solvent, making it a subject of interest for further study in organic synthesis and medicinal chemistry.

Formula: C₁₉H₂₁NO₆S

InChI: InChI=1/C15H17NO2S.C4H4O4/c1-16(2)10-11-5-3-4-6-14(11)19-15-9-12(17)7-8-13(15)18;5-3(6)1-2-4(7)8/h3-9,17-18H,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

Synonyms:

• 2-({2-[(dimethylamino)methyl]phenyl}sulfanyl)benzene-1,4-diol (2E)-but-2-enedioate (salt)
• 2-((2-((Dimethylamino)methyl)phenyl)thio)-1,4-benzenediol (Z)-2-butenedioate (1:1) (salt)
• 1,4-Benzenediol, 2-((2-((dimethylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt)

1,4-Benzenediol, 2-[[2-[(dimethylamino)methyl]phenyl]thio]-, (2Z)-2-butenedioate (1:1) (salt) (9CI)

CAS: 127906-29-0

Formula: C₁₉H₂₁NO₆S

Molecular weight: 391.4381

Ref: IN-DA000XK4