DIETHYL 3-BUTENYLMALONATE

Base Information

• Chemical Name: DIETHYL 3-BUTENYLMALONATE
• CAS No.: 31696-00-1
• Molecular Formula: C11H18 O4
• Molecular Weight: 214.262
• Hs Code.: 2917190090
• Mol file: 31696-00-1.mol

Synonyms:Malonicacid, 3-butenyl-, diethyl ester (8CI); Propanedioic acid, 3-butenyl-, diethylester (9CI); 2-But-3-enylmalonic acid diethyl ester; Diethyl 3-butenylmalonate;Diethyl but-3-en-1-ylmalonate

Chemical Property of DIETHYL 3-BUTENYLMALONATE

Chemical Property:

• Boiling Point: 268.3±33.0 °C(Predicted)
• PKA: 12.84±0.59(Predicted)
• PSA: 52.60000
• Density: 1.008±0.06 g/cm3(Predicted)
• LogP: 1.69500

Purity/Quality:

>95% ^*data from raw suppliers

DIETHYL 3-BUTENYLMALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of DIETHYL 3-BUTENYLMALONATE

There total 6 articles about DIETHYL 3-BUTENYLMALONATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

1-bromo-4-butene (5162-44-7) + diethyl malonate (105-53-3) → diethyl 2-(3-butenyl)malonate (31696-00-1)

Guidance literature:

diethyl malonate; With sodium ethanolate; In ethanol; at 20 ℃; for 0.5h;

1-bromo-4-butene; In ethanol; Reflux;

DOI:10.1021/ol900355h

Reference yield: 66.0%

1-bromo-4-butene (5162-44-7) + diethyl malonate (105-53-3) → diethyl 2-(3-butenyl)malonate (31696-00-1) + 2,2-di-but-3-enyl-malonic acid diethyl ester (51481-48-2)

Guidance literature:

diethyl malonate; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

1-bromo-4-butene; at 20 ℃; for 12h;

DOI:10.1055/s-0032-1317020

Reference yield:

1-bromo-4-butene (5162-44-7) + sodium diethylmalonate (996-82-7) → diethyl 2-(3-butenyl)malonate (31696-00-1)

Guidance literature:

With ethanol;

upstream raw materials:

1-bromo-4-butene

sodium diethylmalonate

diethyl malonate

diethyl methylenemalonate

Downstream raw materials:

diethyl 2-(but-3-enyl)-2-methylpropanedioate

C₃₀H₄₂O₈

N,N'-di-tert-butoxycarbonylpiperazic acid ethyl ester

ethyl 1-benzyl-3-methyl-2-oxocyclopentane-1-carboxylate

Refernces

• 1、 Moriyama, Katsuhiko,Kuramochi, Masako,Tsuzuki, Seiji,Fujii, Kozo,Morita, Takeshi. "Nitroxyl Catalysts for Six-Membered Ring Bromolactonization and Intermolecular Bromoesterification of Alkenes with Carboxylic Acids". supporting information. p. 268 - 273. Retrieved 2021/01/09.
• 2、 -. "Novel linker compound and Site-Specific compounds of Antibody-Drug Conjugate Comprising the Same". Paragraph 0223; 0272-0277. . Retrieved 2020/02/07.