2-Cyclopropyl-2-oxoacetaldehyde

Base Information

• Chemical Name: 2-Cyclopropyl-2-oxoacetaldehyde
• CAS No.: 5617-85-6
• Molecular Formula: C5H6 O2
• Molecular Weight: 98.1
• DSSTox Substance ID: DTXSID00204703
• Wikidata: Q83078131
• Mol file: 5617-85-6.mol

Synonyms:2-cyclopropyl-2-oxoacetaldehyde;5617-85-6;Cyclopropaneglyoxylaldehyde;hydroxycyclopropyl ketene;DTXSID00204703;AKOS017516185;AB62322;AM87069;CS-0089046;D74797

Chemical Property of 2-Cyclopropyl-2-oxoacetaldehyde

Chemical Property:

• Vapor Pressure: 12.2mmHg at 25°C
• Boiling Point: 125.3°Cat760mmHg
• Flash Point: 32.9°C
• PSA: 34.14000
• Density: 1.199g/cm³
• LogP: 0.16440
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 98.036779430
• Heavy Atom Count: 7
• Complexity: 103

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C=O

Technology Process of 2-Cyclopropyl-2-oxoacetaldehyde

There total 1 articles about 2-Cyclopropyl-2-oxoacetaldehyde 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:

Cyclopropyl methyl ketone (765-43-5) → 2-cyclopropyl-2-oxo-acetaldehyde (5617-85-6)

Guidance literature:

With selenium(IV) oxide;

DOI:10.1021/ja01152a540

Reference yield: 48.0%

3-Cyanobenzaldehyde (24964-64-5) + 2-cyclopropyl-2-oxo-acetaldehyde (5617-85-6) → 3-(4-cyclopropyl-1H-imidazol-2-yl)benzonitrile

Guidance literature:

With ammonium acetate; In methanol; at 20 ℃;

DOI:10.1021/acs.jmedchem.7b00178

Reference yield: 39.0%

but-3-enoic acid (625-38-7) + tert-butylisonitrile (119072-55-8,7188-38-7) + 2-cyclopropyl-2-oxo-acetaldehyde (5617-85-6) + benzylamine (100-46-9) → N-benzyl-N-[1-(tert-butylamino)-3-cyclopropyl-1,3-dioxopropan-2-yl]but-3-enamide

Guidance literature:

With indium(III) chloride; In 2,2,2-trifluoroethanol; at 70 ℃; for 2h; Microwave irradiation;

DOI:10.1002/ejoc.201801871

upstream raw materials:

Cyclopropyl methyl ketone

Downstream raw materials:

5-(5-cyclopropyl-3-trifluoromethyl-1H-pyrazol-4-yloxy)-isophthalonitrile

5-[5-cyclopropyl-1-(2-hydroxy-ethyl)-3-trifluoromethyl-1H-pyrazol-4-yloxy]-isophthalonitrile

5-cyclopropyl-3-(methylthio)-1,2,4-triazine