2-(2-Chlorophenyl)acetaldehyde

Base Information

• Chemical Name: 2-(2-Chlorophenyl)acetaldehyde
• CAS No.: 4251-63-2
• Molecular Formula: C8H7ClO
• Molecular Weight: 154.596
• Hs Code.: 2913000090
• ChEMBL ID: CHEMBL4454631
• DSSTox Substance ID: DTXSID40464001
• Nikkaji Number: J381.170K
• Wikidata: Q82289159
• Mol file: 4251-63-2.mol

Synonyms:2-(2-chlorophenyl)acetaldehyde;4251-63-2;(2-Chlorophenyl)acetaldehyde;(2-CHLORO-PHENYL)-ACETALDEHYDE;2-chlorophenylacetaldehyde;o-chlorophenylacetaldehyde;2-Chloro-benzeneacetaldehyde;(2-chlorophenyl)-acetaldehyde;SCHEMBL168712;CHEMBL4454631;DTXSID40464001;NTLKDYQFUMXRNF-UHFFFAOYSA-N;MFCD02261730;AKOS011897130;AM85766;FS-6490;CS-0038107;W16822

Chemical Property of 2-(2-Chlorophenyl)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.049mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 235.8 °C at 760 mmHg
• Flash Point: 106.3 °C
• PSA: 17.07000
• Density: 1.175 g/cm³
• LogP: 2.08140
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 154.0185425
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-benzeneacetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC=O)Cl
• Uses: 2-Chloro-benzeneacetaldehyde is a useful reagent to prepare regio-and stereoselective α-fluorinated amides. It can also be used to synthesize regioselective 1,4-disubstituted 1,2,3-triazoles.

Technology Process of 2-(2-Chlorophenyl)acetaldehyde

There total 10 articles about 2-(2-Chlorophenyl)acetaldehyde 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: 82.0%

2-chlorostyrene (2039-87-4,107830-52-4,26125-41-7) → (2-chlorophenyl)acetaldehyde (4251-63-2)

Guidance literature:

With ammonium persulfate; Pd(E-2-(benzylthio)-N-{(2-methoxynaphthalene-1-yl)methylene}benzenamine)Cl; 1-butyl-3-methylimidazolium Tetrafluoroborate; In water; at 70 ℃; for 0.25h; regioselective reaction; Microwave irradiation;

DOI:10.1016/j.jorganchem.2016.08.006

Reference yield: 71.0%

1-chloro-2-(2-methoxyvinyl)benzene → (2-chlorophenyl)acetaldehyde (4251-63-2)

Guidance literature:

With hydrogenchloride; water; In acetone; at 65 ℃; for 1h;

Reference yield: 51.0%

2-(2-chlorophenyl)-1-ethanol (19819-95-5) → (2-chlorophenyl)acetaldehyde (4251-63-2)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1021/ja012046d DOI:10.1021/ja005698v

upstream raw materials:

[(E)-2-(2-Chloro-phenyl)-vinyl]-carbamic acid methyl ester

2-(2-chlorophenyl)-1-ethanol

2-iodochlorobenzene

(E)-3-(2-chlorophenyl)acrylamide

Downstream raw materials:

(2-chloro-phenyl)-acetaldehyde-semicarbazone

N¹-(2-chlorophenethyl)-N³,N³-dimethylpropane-1,3-diamine

4-(2-chlorophenyl)-1-phenyl-1H-1,2,3-triazole