CAS 133-08-4

1,3-Diethyl 2-butylpropanedioate

Description:

1,3-Diethyl 2-butylpropanedioate, with the CAS number 133-08-4, is an organic compound belonging to the class of diesters. It features a propanedioate backbone, which is substituted with ethyl groups at the 1 and 3 positions and a butyl group at the 2 position. This structure contributes to its unique chemical properties, including its relatively low polarity and moderate solubility in organic solvents. The compound is typically colorless to pale yellow in appearance and may have a characteristic odor. It is used in various applications, including as a reagent in organic synthesis and potentially in the production of plasticizers or other specialty chemicals. The presence of multiple ester functional groups suggests that it may undergo hydrolysis in the presence of water, leading to the formation of corresponding acids and alcohols. Safety data indicates that, like many esters, it should be handled with care, as it may cause irritation upon contact with skin or eyes. Proper storage and handling protocols are essential to ensure safety in laboratory or industrial settings.

Formula: C₁₁H₂₀O₄

InChI: InChI=1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3

InChI key: InChIKey=RPNFNBGRHCUORR-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C(OCC)=O)CCCC

Synonyms:

• 1,3-Diethyl 2-butylpropanedioate
• Butylmalonic acid diethyl ester
• Butylpropanedioic acid diethyl ester
• Diethyl 2-Butylpropanedioate
• Diethyl 2-butylmalonate
• Diethyl 2-n-butylmalonate
• Diethyl Butylmalonate
• Diethyl α-butylmalonate
• Ethyl butylmalonate
• Malonic acid, butyl-, diethyl ester
• NSC 4565
• Propanedioic acid, 2-butyl-, 1,3-diethyl ester
• Propanedioic acid, butyl-, diethyl ester
• n-Butyl Diethyl Malonate
• n-Butylammonic acid diethyl ester

Propanedioic acid, 2-butyl-, 1,3-diethyl ester

CAS: 133-08-4

Formula: C₁₁H₂₀O₄

Purity: 99%

Color and Shape: Liquid

Molecular weight: 216.2741

Ref: IN-DA0011HK

Diethyl butylmalonate

CAS: 133-08-4

Diethyl butylmalonate

Purity: 98%

Molecular weight: 216.27g/mol

Ref: 54-OR1012866

Diethyl Butylmalonate

CAS: 133-08-4

Formula: C₁₁H₂₀O₄

Purity: >99.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 216.28

Ref: 3B-B0381

Diethyl 2-n-Butylmalonate

Controlled Product

CAS: 133-08-4

Applications Diethyl 2-n-Butylmalonate is used as a reagent in the synthesis of 2,5-dihydropyrrole formyl hydroxyamino derivatives as peptide deformylase inhibitors against drug-resistant bacteria.
References Yang, S., et al.: Eur. J. Med. Chem., 86, 133 (2014); Shi, W., et al.: Bioorg. Med. Chem. Lett., 20, 3592 (2010)

Formula: C₁₁H₂₀O₄

Color and Shape: Neat

Molecular weight: 216.27

Ref: TR-D443880

Diethyl butylmalonate

CAS: 133-08-4

Formula: C₁₁H₂₀O₄

Purity: 98%

Color and Shape: Liquid

Molecular weight: 216.277

Ref: 10-F099058

Diethyl butylmalonate

CAS: 133-08-4

Diethyl butylmalonate shows toxicity to T. pyriformis, with a log(IGC50 -1 ) of 0.557 [1].

Formula: C₁₁H₂₀O₄

Color and Shape: Solid

Molecular weight: 216.27

Ref: TM-T60264