CAS 3972-36-9

(2S)-2-(Phenylmethyl)butanedioic acid

Description:

(2S)-2-(Phenylmethyl)butanedioic acid, also known as phenylsuccinic acid, is an organic compound characterized by its dicarboxylic acid structure, featuring two carboxyl (-COOH) groups attached to a butane backbone. The presence of a phenylmethyl group (benzyl group) at the second carbon contributes to its unique properties, including increased hydrophobicity compared to simpler dicarboxylic acids. This compound is typically a white crystalline solid at room temperature and is soluble in polar solvents like water and alcohols, while being less soluble in nonpolar solvents. It exhibits both acidic and basic properties, allowing it to participate in various chemical reactions, including esterification and amidation. The stereochemistry of the compound, indicated by the (2S) designation, suggests that it has specific spatial arrangements that can influence its reactivity and interactions with biological systems. Due to its structural features, phenylsuccinic acid has potential applications in pharmaceuticals, agrochemicals, and as a building block in organic synthesis.

Formula: C₁₁H₁₂O₄

InChI: InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1

InChI key: InChIKey=GTOFKXZQQDSVFH-VIFPVBQESA-N

SMILES: [C@H](CC1=CC=CC=C1)(CC(O)=O)C(O)=O

Synonyms:

• (-)-Benzylsuccinic acid
• (2S)-2-(Phenylmethyl)butanedioic acid
• (2S)-2-benzylbutanedioic acid
• (S)-Benzylsuccinic acid
• 2(S)-Benzyl-3-carboxypropionic acid
• <span class="text-smallcaps">L</span>-(-)-Benzylsuccinic acid
• Benzylsuccinicacid
• Butanedioic acid, (phenylmethyl)-, (2S)-
• Butanedioic acid, (phenylmethyl)-, (S)-
• Butanedioic acid, 2-(phenylmethyl)-, (2S)-
• Mitiglinide intermediate

(S)-Benzylsuccinic Acid

CAS: 3972-36-9

Formula: C₁₁H₁₂O₄

Purity: >98.0%(T)(HPLC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 208.21

Ref: 3B-B4142

(S)-2-Benzylsuccinic acid

CAS: 3972-36-9

Formula: C₁₁H₁₂O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 208.2106

Ref: IN-DA003CL4

(S)-2-Benzylsuccinic Acid

CAS: 3972-36-9

(S)-2-Benzylsuccinic Acid

Purity: 98%

Molecular weight: 208.21g/mol

Ref: 54-OR350350

(S)-2-Benzylsuccinic acid

CAS: 3972-36-9

Formula: C₁₁H₁₂O₄

Purity: 98%

Color and Shape: White to almost white powder

Molecular weight: 208.213

Ref: 10-F405220