cis-2-Nonenoic acid

Base Information

• Chemical Name: cis-2-Nonenoic acid
• CAS No.: 1577-98-6
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.225
• NSC Number: 32357
• UNII: 5LP98A1W25
• Nikkaji Number: J98.030G
• Wikidata: Q27262526
• Metabolomics Workbench ID: 461
• Mol file: 1577-98-6.mol

Synonyms:cis-2-nonenoic acid;(Z)-2-Nonenoic acid;2-Nonenoic acid, (2Z)-;(Z)-non-2-enoic acid;2-Nonenoic acid, (Z)-;1577-98-6;2Z-nonenoic acid;alpha-nonylenic acid;UNII-5LP98A1W25;5LP98A1W25;alpha-Nonenoic acid;.alpha.-Nonenoic acid;cis-non-2-enoic acid;(2Z)-2-nonenoic acid;SCHEMBL3508502;NSC32357;LMFA01030026;NSC-32357;Q27262526

Chemical Property of cis-2-Nonenoic acid

Chemical Property:

• Boiling Point: 261.5±9.0 °C(Predicted)
• PKA: 4.65±0.25(Predicted)
• Density: 0.944±0.06 g/cm3(Predicted)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC=CC(=O)O
• Isomeric SMILES: CCCCCC/C=C\C(=O)O

Technology Process of cis-2-Nonenoic acid

There total 38 articles about cis-2-Nonenoic 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: 91.0%

[1-(2,2-Dichloro-vinyl)-heptylselanyl]-benzene (197455-05-3) → (E)-2-nonenoic acid (1577-98-6,3760-11-0,14812-03-4)

Guidance literature:

With dihydrogen peroxide; at -30 ℃;

DOI:10.1039/a704153e

Reference yield: 84.0%

1,1-difluoro-1,3-diiodo-nonane → (E)-2-nonenoic acid (1577-98-6,3760-11-0,14812-03-4)

Guidance literature:

1,1-difluoro-1,3-diiodo-nonane; With sodium hydroxide; In acetonitrile;

With water; In acetonitrile; at 60 ℃; for 3h;

DOI:10.1016/S0022-1139(00)00341-9

Reference yield: 81.0%

(E)-5,5-dimethyl-2-(oct-1-en-1-yl)-1,3,2-dioxaborinane + carbon dioxide (124-38-9,18923-20-1) → (E)-2-nonenoic acid (1577-98-6,3760-11-0,14812-03-4)

Guidance literature:

With 1,3-bis(bis(4-methoxyphenyl)phosphino)propane; cesium fluoride; [(norbornadiene)rhodium(I)chloride]2; In 1,4-dioxane; at 60 ℃;

DOI:10.1021/ja061232m

upstream raw materials:

heptanal

malonic acid

(3E)-dec-3-en-2-one

non-2-enal

Downstream raw materials:

(E)-2-nonenoic acid

2-nonenyl alcohol

n-octanamide

(E)-2-nonen-1-ol acetate

Refernces

• 1、 Yang, Da,Liu, Huan,Liu, Lei,Guo, Wen-Di,Lu, Yong,Liu, Ye. "Co-catalysis over a tri-functional ligand modified Pd-catalyst for hydroxycarbonylation of terminal alkynes towards α,β-unsaturated carboxylic acids". . p. 5336 - 5344. Retrieved 2019/10/11.
• 2、 Kandagatla, Suneel K.,Mack, Todd,Simpson, Sean,Sollenberger, Jill,Helton, Eric,Raner, Gregory M.. "Inhibition of human cytochrome P450 2E1 and 2A6 by aldehydes: Structure and activity relationships". . p. 195 - 202. Retrieved 2014/07/21.