2-nonylpropanedioic Acid

Base Information

• Chemical Name: 2-nonylpropanedioic Acid
• CAS No.: 3578-47-0
• Molecular Formula: C12H22 O4
• Molecular Weight: 230.304
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID30877000
• Nikkaji Number: J1.343.405K
• Wikidata: Q82858761
• Mol file: 3578-47-0.mol

Synonyms:2-nonylpropanedioic Acid;N-NONYLMALONIC ACID;Propanedioic acid, nonyl-;3578-47-0;decanedicarboxylic;Malonic acid, nonyl-;SCHEMBL110170;DTXSID30877000;FWQNYUYRXNWOOM-UHFFFAOYSA-N

Chemical Property of 2-nonylpropanedioic Acid

Chemical Property:

• Vapor Pressure: 3.72E-07mmHg at 25°C
• Boiling Point: 389.7°C at 760 mmHg
• Flash Point: 203.6°C
• PSA: 74.60000
• Density: 1.064g/cm³
• LogP: 2.91250
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 230.15180918
• Heavy Atom Count: 16
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

N-NONYLMALONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-nonylpropanedioic Acid

There total 3 articles about 2-nonylpropanedioic 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:

carbon dioxide (124-38-9,18923-20-1) → undecylenic acid (112-37-8) + nonyl-malonic acid (3578-47-0)

Guidance literature:

With Petroleum ether;

DOI:10.1021/ja01262a001

Reference yield:

decyl chloride (1002-69-3) → undecylenic acid (112-37-8) + nonyl-malonic acid (3578-47-0)

Guidance literature:

at -10 ℃; folgendes Einleiten von CO₂;

DOI:10.1021/ja01262a001

Reference yield:

→ nonyl-malonic acid (3578-47-0) + 1,12-dodecadicarboxylic acid monoethyl ester (66003-63-2)

Guidance literature:

With nickel(II) iodide; manganese; 2,9-dihexyl-4,7-diphenyl-1,10-phenanthroline; In N,N-dimethyl-formamide; at 10 ℃; under 760.051 Torr; Overall yield = 80 %;

upstream raw materials:

carbon dioxide

decyl chloride

Downstream raw materials:

undecylenic acid

Refernces