2-(10-Undecenyl)malonic acid

Base Information

• Chemical Name: 2-(10-Undecenyl)malonic acid
• CAS No.: 4475-28-9
• Molecular Formula: C14H24O4
• Molecular Weight: 256.342
• NSC Number: 36179
• UNII: FRS3LFU5QQ
• DSSTox Substance ID: DTXSID40196294
• Wikidata: Q83069356
• Mol file: 4475-28-9.mol

Synonyms:2-(10-Undecenyl)malonic acid;4475-28-9;FRS3LFU5QQ;UNII-FRS3LFU5QQ;NSC36179;NSC 36179;NSC-36179;2-undec-10-enylpropanedioic acid;SCHEMBL5369364;DTXSID40196294;2-(10-UNDECEN-1-YL)PROPANEDIOIC ACID;PROPANEDIOIC ACID, 2-(10-UNDECEN-1-YL)-

Chemical Property of 2-(10-Undecenyl)malonic acid

Chemical Property:

• Vapor Pressure: 5.77E-08mmHg at 25°C
• Boiling Point: 412.6°C at 760 mmHg
• Flash Point: 217.5°C
• Density: 1.049g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 256.16745924
• Heavy Atom Count: 18
• Complexity: 247

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(10-Undecenyl)malonic acid

There total 3 articles about 2-(10-Undecenyl)malonic 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:

diethyl 10-undecenylmalonate (52355-51-8) → undec-10-enyl-malonic acid (4475-28-9)

Guidance literature:

diethyl 10-undecenylmalonate; With potassium hydroxide; In ethanol; water; at 20 ℃;

With sulfuric acid; In water;

Reference yield:

→ undec-10-enyl-malonic acid (4475-28-9)

Guidance literature:

With potassium hydroxide;

Reference yield:

1-undecen-11-ylbromide (7766-50-9) → undec-10-enyl-malonic acid (4475-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran / 1 h / 0 - 20 °C

1.2: Reflux

2.1: potassium hydroxide / ethanol; water / 20 °C

With sodium hydride; potassium hydroxide; In tetrahydrofuran; ethanol; water;

upstream raw materials:

1-undecen-11-ylbromide

diethyl 10-undecenylmalonate

Downstream raw materials:

2-((E)-2-methoxy-benzylidene)-tridec-12-enoic acid

12-tridecenoic acid

2-((E)-3-nitro-benzylidene)-tridec-12-enoic acid