2-Chlorocrotonaldehyde

Base Information

• Chemical Name: 2-Chlorocrotonaldehyde
• CAS No.: 25129-61-7
• Molecular Formula: C4H5 Cl O
• Molecular Weight: 104.536
• European Community (EC) Number: 258-412-3,865-043-7
• NSC Number: 38474
• DSSTox Substance ID: DTXSID90871423
• Nikkaji Number: J536.039K,J100.782C
• Mol file: 25129-61-7.mol

Synonyms:(E)-2-chloro-2-butenal;2-chlorocrotonaldehyde

Chemical Property of 2-Chlorocrotonaldehyde

Chemical Property:

• Boiling Point: 148.5°Cat760mmHg
• Flash Point: 43.8°C
• PSA: 17.07000
• Density: 1.081g/cm³
• LogP: 1.32790
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 104.0028925
• Heavy Atom Count: 6
• Complexity: 75.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chlorocrotonaldehyde

There total 7 articles about 2-Chlorocrotonaldehyde 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: 77.0%

trans-Crotonaldehyde (123-73-9,4170-30-3) → α-chlorocrotonaldehyde (25129-61-7)

Guidance literature:

With aluminium trichloride; benzeneseleninyl chloride; In dichloromethane; at 40 ℃; for 2h;

DOI:10.1246/bcsj.61.449

Reference yield: 40.0%

rac-2-chlorobut-3-en-1-ol (75455-41-3) → α-chlorocrotonaldehyde (25129-61-7) + rac-2-chlorobut-3-en-1-al

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1021/tx0155404

Reference yield:

trans-2-chloro-1,1-diethoxy-2-butene (7364-07-0) → α-chlorocrotonaldehyde (25129-61-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01343a057

upstream raw materials:

trans-2-chloro-1,1-diethoxy-2-butene

1-chloro-2-ethoxy-1-fluoro-3-methyl-cyclopropane

(Z)-2-chloro-1-(2-chloro-ethoxy)-1-ethoxy-but-2-ene

trans-Crotonaldehyde

Downstream raw materials:

N-Formylpiperidine

2-Piperidinobut-2-enal

E-2-Piperidino-2-butenal

1,2-dipiperidino-ethene