(2Z)-3-Chloro-3-(3-chlorophenyl)prop-2-enal

Base Information

• Chemical Name: (2Z)-3-Chloro-3-(3-chlorophenyl)prop-2-enal
• CAS No.: 1242316-87-5
• Molecular Formula: C₉H₆Cl₂O
• Molecular Weight: 201.052
• DSSTox Substance ID: DTXSID30705016
• Nikkaji Number: J75.153G

Synonyms:1242316-87-5;(2Z)-3-Chloro-3-(3-chlorophenyl)prop-2-enal;DTXSID30705016;beta,p-Dichlorobenzene-2-propenal

Chemical Property of (2Z)-3-Chloro-3-(3-chlorophenyl)prop-2-enal

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.9795702
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (2Z)-3-Chloro-3-(3-chlorophenyl)prop-2-enal

There total 2 articles about (2Z)-3-Chloro-3-(3-chlorophenyl)prop-2-enal 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%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3'-Chloroacetophenone (99-02-5) → (Z)-3-chloro-3-(3-chlorophenyl)acrylaldehyde (1242316-87-5)

Guidance literature:

N,N-dimethyl-formamide; With bis(trichloromethyl) carbonate; In chloroform; at 20 ℃; Cooling with ice;

3'-Chloroacetophenone; In chloroform; at 20 - 60 ℃;

DOI:10.1080/00397910903262187

Reference yield:

Vilsmeier reagent (3724-43-4,149409-22-3) + 3'-Chloroacetophenone (99-02-5) → (Z)-3-chloro-3-(3-chlorophenyl)acrylaldehyde (1242316-87-5)

Guidance literature:

DOI:10.2174/157018011796576051

Reference yield: 84.0%

(Z)-3-chloro-3-(3-chlorophenyl)acrylaldehyde (1242316-87-5) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → (Z)-methyl 5-chloro-5-(3-chlorophenyl)-3-hydroxy-2-methylenepent-4-enoate (1219452-61-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; at 50 ℃; for 3.5h; Neat (no solvent); Sonication;

DOI:10.1080/00397910903262187

upstream raw materials:

N,N-dimethyl-formamide

3'-Chloroacetophenone

Vilsmeier reagent

Downstream raw materials:

(Z)-methyl 5-chloro-5-(3-chlorophenyl)-3-hydroxy-2-methylenepent-4-enoate

(Z)-methyl 5-chloro-5-(3-chlorophenyl)-2-methylene-3-(phenylsulfonamido)pent-4-enoate

(Z)-methyl 5-chloro-5-(3-chlorophenyl)-2-methylene-3-(4-tolylsulfonamido)pent-4-enoate

3-((2E,4Z)-5-chloro-5-(3-chlorophenyl)-2-(methoxycarbonyl)penta-2,4-dienyl)-1-methyl-1H-imidazol-3-iumhydrogensulfate

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