CAS 40204-26-0

1-(Phenylmethyl) propanedioate

Description:

1-(Phenylmethyl)propanedioate, also known by its CAS number 40204-26-0, is an organic compound characterized by the presence of a propanedioate (malonate) moiety substituted with a phenylmethyl (benzyl) group. This compound features two carboxylate functional groups, which contribute to its acidity and reactivity. The phenylmethyl group enhances the compound's lipophilicity, potentially influencing its solubility in organic solvents. The structure allows for various chemical reactions, including esterification and nucleophilic substitutions, making it useful in synthetic organic chemistry. Additionally, the presence of both aliphatic and aromatic components may impart unique physical properties, such as melting and boiling points, which are influenced by intermolecular interactions like hydrogen bonding and π-π stacking. This compound may find applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. However, specific safety and handling guidelines should be followed, as with all chemical substances, to mitigate any potential hazards associated with its use.

Formula: C₁₀H₁₀O₄

InChI: InChI=1S/C10H10O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)

InChI key: InChIKey=CFLAHQSWDKNWPW-UHFFFAOYSA-N

SMILES: C(OC(CC(O)=O)=O)C1=CC=CC=C1

Synonyms:

• (Benzyloxycarbonyl)acetic acid
• 1-(Phenylmethyl) propanedioate
• 2-(Benzyloxycarbonyl)acetic acid
• 3-(Benzyloxy)-3-Oxopropanoic Acid
• 3-Oxo-3-phenylmethoxypropanoic acid
• Benzyl hemimalonate
• Benzyl hydrogen malonate
• Malonic acid monobenzyl ester
• Monobenzyl malonate
• Propanedioic acid, 1-(phenylmethyl) ester
• Propanedioic acid, mono(phenylmethyl) ester

mono-Benzyl malonate

CAS: 40204-26-0

Formula: C₁₀H₁₀O₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 194.1840

Ref: IN-DA00359S

Mono-benzyl malonate

CAS: 40204-26-0

Mono-benzyl malonate

Purity: 97%

Molecular weight: 194.18g/mol

Ref: 54-OR944575

Monobenzyl Malonate

Controlled Product

CAS: 40204-26-0

Applications Monobenzyl Malonate is a useful synthetic intermediate. It was used to synthesize constrained cyclic agonists of the cholecystokinin CCK-B receptor. It was also used to prepare aspartate transcarbamoylase inhibitors.
References Blommaert, A., et al.: J. Med. Chem., 40, 647 (1997); Coudray, L., et al.: Bioorg. Med. Chem., 17, 7680 (2009)

Formula: C₁₀H₁₀O₄

Color and Shape: Neat

Molecular weight: 194.18

Ref: TR-M524880

Monobenzylmalonate

CAS: 40204-26-0

Formula: C₁₀H₁₀O₄

Purity: 97%

Color and Shape: Solid

Molecular weight: 194.186

Ref: 10-F050956

mono-Benzyl malonate

CAS: 40204-26-0

Mono-benzyl malonate is a synthetic molecule that inhibits the growth of cancer cells. It has an intramolecular hydrogen bond that stabilizes the molecule, and it has been shown to be effective at a low dose in preventing tumor growth. Mono-benzyl malonate also binds to receptors and blocks their activity, which may help to reduce insulin resistance in a similar way as metformin. The biological properties of this compound are still being studied.

Formula: C₁₀H₁₀O₄

Purity: Min. 95%

Molecular weight: 194.18 g/mol

Ref: 3D-QBA20426