2-Octylcyclopropanecarboxylic acid

Base Information

• Chemical Name: 2-Octylcyclopropanecarboxylic acid
• CAS No.: 15898-87-0
• Molecular Formula: C12 H22O2
• Molecular Weight: 198.3
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID60390651
• Wikidata: Q47008475
• Mol file: 15898-87-0.mol

Synonyms:2-octylcyclopropanecarboxylic acid;15898-87-0;2-octylcyclopropane-1-carboxylic acid;2-Octyl-cyclopropanecarboxylic acid;2-n-Octylcyclopropanecarboxylic acid;SCHEMBL301664;2-octylcyclopropanecarboxylicacid;DTXSID60390651;FLZRNGWKTVAXBN-UHFFFAOYSA-N;2-octylcyclopro-panecarboxylic acid;BBL013216;MFCD00543867;STK795745;2-(n-octyl)cyclopropanecarboxylic acid;AKOS001752089;VS-03709;CS-0312892;A883332

Chemical Property of 2-Octylcyclopropanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.000284mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 299.4°C at 760 mmHg
• Flash Point: 145.3°C
• PSA: 37.30000
• Density: 0.981g/cm³
• LogP: 3.45770
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

2-octylcyclopropanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1CC1C(=O)O

Technology Process of 2-Octylcyclopropanecarboxylic acid

There total 9 articles about 2-Octylcyclopropanecarboxylic 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: 73.0%

(±)-trans-2-octylcyclopropyl-1-methanol → (±)-trans-2-octylcyclopropyl-1-carboxylic acid (15898-87-0,75097-00-6)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In acetone; at 20 ℃; for 14h; enantioselective reaction;

DOI:10.1002/anie.201605242

Reference yield:

diazoacetic acid ethyl ester (623-73-4) + 1-Decene (872-05-9,17438-89-0,25189-70-2) → 2-Octyl-cyclopropancarbonsaeure (15898-87-0)

Guidance literature:

With sodium hydroxide; copper(II) sulfate; In 1-Decene; water; Petroleum ether;

Reference yield:

(+/-)-trans-2-octyl-cyclopropanecarboxylic acid ethyl ester (6904-49-0,6904-50-3,52355-53-0) → (±)-trans-2-octylcyclopropyl-1-carboxylic acid (15898-87-0,75097-00-6)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01636a020

upstream raw materials:

diazoacetic acid ethyl ester

1-Decene

(+/-)-trans-2-octyl-cyclopropanecarboxylic acid ethyl ester

2-undecynyltetrahydro-2H-pyran-2-yl ether