3-Cyclopropylpropanal

Base Information

• Chemical Name: 3-Cyclopropylpropanal
• CAS No.: 5618-02-0
• Molecular Formula: C₆H₁₀O
• Molecular Weight: 98.1448
• Hs Code.: 2912299000
• European Community (EC) Number: 827-765-0
• DSSTox Substance ID: DTXSID20544032
• Wikidata: Q82421005
• Mol file: 5618-02-0.mol

Synonyms:3-Cyclopropylpropanal;5618-02-0;Cyclopropanepropanal;DTXSID20544032;AKOS013847446;SB85406;EN300-193295;F95283;Z1233208002

Chemical Property of 3-Cyclopropylpropanal

Chemical Property:

• Boiling Point: 136.9±9.0 °C(Predicted)
• PSA: 17.07000
• Density: 0.937±0.06 g/cm3(Predicted)
• LogP: 1.37550
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 64.6

Purity/Quality:

97% ^*data from raw suppliers

3-Cyclopropylpropanal 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC1CCC=O

Technology Process of 3-Cyclopropylpropanal

There total 4 articles about 3-Cyclopropylpropanal 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:

5-(cyclopropylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (862122-96-1) → 3-(cyclopropyl)propionaldehyde (5618-02-0)

Guidance literature:

5-(cyclopropylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione; With sodium tetrahydroborate; acetic acid; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

With phenylsilane; triethylamine; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.ejmech.2011.10.031

Reference yield:

3-cyclopropyl-1-propanol (5618-01-9) → 3-(cyclopropyl)propionaldehyde (5618-02-0)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane;

DOI:10.1002/hlca.200390086

Reference yield:

n-Pent-4-enyl alcohol (821-09-0) → 3-(cyclopropyl)propionaldehyde (5618-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / Et₂Zn / hexane; 1,2-dichloro-ethane / 16 h / 20 °C

2: pyridinium chlorochromate / CH₂Cl₂

With diethylzinc; pyridinium chlorochromate; In hexane; dichloromethane; 1,2-dichloro-ethane;

DOI:10.1002/hlca.200390086

upstream raw materials:

3-cyclopropyl-1-propanol

n-Pent-4-enyl alcohol

5-(cyclopropylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Downstream raw materials:

4-cyclopropyl-2-hydroxy-1-phenylbutan-1-one