Allylmalonic acid

Base Information

• Chemical Name: Allylmalonic acid
• CAS No.: 2583-25-7
• Molecular Formula: C6H8 O4
• Molecular Weight: 144.127
• Hs Code.: 2917190090
• European Community (EC) Number: 219-958-8
• NSC Number: 46718
• UNII: 59UX4PT5LH
• DSSTox Substance ID: DTXSID30180485
• Nikkaji Number: J95.037H
• Wikidata: Q83051032
• Mol file: 2583-25-7.mol

Synonyms:allylmalonic acid

Chemical Property of Allylmalonic acid

Chemical Property:

• Vapor Pressure: 2.18E-05mmHg at 25°C
• Melting Point: 102-105 °C
• Refractive Index: 1.4434 (estimate)
• Boiling Point: 335.9°C at 760 mmHg
• PKA: 2.85±0.34(Predicted)
• Flash Point: 171.2°C
• PSA: 74.60000
• Density: 1.1311 (rough estimate)
• LogP: 0.34790
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 144.04225873
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Allylmalonic acid ≥98.0% (T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCC(C(=O)O)C(=O)O

Technology Process of Allylmalonic acid

There total 9 articles about Allylmalonic acid 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: 100.0%

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) → allylmalonic acid (2583-25-7)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1080/00397911.2010.493264

Reference yield: 97.0%

2,2-dimethyl-5-(prop-2-en-1-yl)-1,3-dioxane-4,6-dione (113427-02-4) → allylmalonic acid (2583-25-7)

Guidance literature:

With hydrogenchloride; for 0.0333333h; microwave irradiation;

Reference yield:

dimethyl allylmalonate (40637-56-7) → allylmalonic acid (2583-25-7)

Guidance literature:

With potassium hydroxide; In ethanol; at 85 ℃; for 2h;

DOI:10.3390/molecules23010027

upstream raw materials:

allyl iodid

sodium diethylmalonate

(2-propenyl)propanedioic acid diethyl ester

allyl bromide

Downstream raw materials:

dimethyl allylmalonate

2-((E)-4-isopropyl-benzylidene)-pent-4-enoic acid

methyl 2-(2'-propenyl)propenoate

Refernces

• 1、 Su, Jung-Chen,Huang, Yu-Ting,Chen, Chang-Shi,Chiu, Hao-Chieh,Shiau, Chung-Wai. "Design and synthesis of malonamide derivatives as antibiotics against methicillin-resistant staphylococcus aureus". . . Retrieved 2018.
• 2、 Ohmura, Toshimichi,Sasaki, Ikuo,Suginome, Michinori. "Catalytic Generation of Rhodium Silylenoid for Alkene-Alkyne-Silylene [2 + 2 + 1] Cycloaddition". supporting information. p. 1649 - 1653. Retrieved 2019/03/20.
• 3、 Yang, Qi-Liang,Xing, Yi-Kang,Wang, Xiang-Yang,Ma, Hong-Xing,Weng, Xin-Jun,Yang, Xiang,Guo, Hai-Ming,Mei, Tian-Sheng. "Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization". supporting information. p. 18970 - 18976. Retrieved 2019/12/04.