Chlorocinnamaldehyde

Base Information

• Chemical Name: Chlorocinnamaldehyde
• CAS No.: 18365-42-9
• Molecular Formula: C9H7ClO
• Molecular Weight: 166.607
• Hs Code.: 29130000
• Mol file: 18365-42-9.mol

Synonyms:alpha-chloro-cinnamaldehyde;Chlorzimtaldehyd;chlorocinnamaldehyde;SB85369;FT-0622129;D94582

Chemical Property of Chlorocinnamaldehyde

Chemical Property:

• Appearance/Colour: Light yellow transparent liquid
• Vapor Pressure: 0.00889mmHg at 25°C
• Melting Point: 20-22 °C(lit.)
• Refractive Index: n20/D 1.64(lit.)
• Boiling Point: 107-108oC (3 mmHg)
• Flash Point: 130.7oC
• PSA: 17.07000
• Density: 1.199 g/cm3
• LogP: 2.46520
• Storage Temp.: 0-6°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 166.0185425
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

98%Min ^*data from raw suppliers

α-Chlorocinnamaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-27-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=C(C=O)Cl

Technology Process of Chlorocinnamaldehyde

There total 13 articles about Chlorocinnamaldehyde 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: 100.0%

3-phenyl-propenal (104-55-2) → α-chloro-cinnamaldehyde (18365-42-9)

Guidance literature:

With pyridine; Phenylselenyl chloride; In dichloromethane; at 37 ℃; for 96h;

DOI:10.1016/S0040-4039(01)81890-6

Reference yield: 93.0%

2-(1-chloro-2-phenylvinyl)-1,3-dioxolane → α-chloro-cinnamaldehyde (18365-42-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 65 ℃; for 5h;

DOI:10.1055/s-2004-837303

Reference yield:

2,3-dichloro-3-phenyl-propionaldehyde (20473-36-3) → α-chloro-cinnamaldehyde (18365-42-9)

Guidance literature:

With potassium acetate; acetic acid;

upstream raw materials:

2,3-dichloro-3-phenyl-propionaldehyde

potassium acetate

acetic acid

1-(2-phenylethynyl)piperidine

Downstream raw materials:

(Z)-α-chlorocinnamic acid

2,2,3-trichloro-3-phenyl-propionaldehyde

2-chloro-3-phenyl-2-propen-1-ol

(Z)-2-chloro-3-(2-nitrophenyl)acrylaldehyde

Refernces

• 1、 Dieter, R. Karl,Nice, Lois E.,Velu, Sadanandan E.. "Oxidation of α,β-enones and alkenes with oxone and sodium halides: A convenient laboratory preparation of chlorine and bromine". . p. 2377 - 2380. Retrieved 2007/10/03.
• 2、 Ley, Steven V.,Whittle, Alan J.. "A CONVENIENT PREPARATION OF 2-HALOENONES FROM ENONES USING PHENYLSELENIUM HALIDES". . p. 3301 - 3304. Retrieved 2007/10/02.