(2Z)-3-chloro-3-(4-fluorophenyl)prop-2-enal

Base Information

• Chemical Name: (2Z)-3-chloro-3-(4-fluorophenyl)prop-2-enal
• CAS No.: 55338-97-1
• Molecular Formula: C9H6ClFO
• Molecular Weight: 184.597
• Nikkaji Number: J1.818.913E,J2.212.636I
• Wikidata: Q76310761
• Mol file: 55338-97-1.mol

Synonyms:BRN 2207350;161891-29-8;3-chloro-3-(4-fluorophenyl)prop-2-enal;55338-97-1;beta-Chloro-p-fluorocinnamaldehyde;(2Z)-3-chloro-3-(4-fluorophenyl)prop-2-enal;CINNAMALDEHYDE, beta-CHLORO-p-FLUORO-;(Z)-3-chloro-3-(4-fluorophenyl)prop-2-enal;SCHEMBL12489982;beta-Chloro-4-fluorobenzenepropenal;BBL028207;MFCD00106469;STK940495;AKOS005669602;3-chloro-3-(4-fluorophenyl)acrylaldehyde;LS-53824;VS-08692;(Z)-3-Chloro-3-(4-fluorophenyl)propenal;(2Z)-3-Chloro-3-(4-fluorophenyl)acrylaldehyde

Chemical Property of (2Z)-3-chloro-3-(4-fluorophenyl)prop-2-enal

Chemical Property:

• Vapor Pressure: 0.00858mmHg at 25°C
• Boiling Point: 266.6°Cat760mmHg
• Flash Point: 115°C
• Density: 1.258g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0091207
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=CC=O)Cl)F
• Isomeric SMILES: C1=CC(=CC=C1/C(=C/C=O)/Cl)F

Technology Process of (2Z)-3-chloro-3-(4-fluorophenyl)prop-2-enal

There total 1 articles about (2Z)-3-chloro-3-(4-fluorophenyl)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: 51.0%

1-(4-fluorophenyl)ethanone (403-42-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → β-chloro-β-(4-fluorophenyl)acrylaldehyde (55338-97-1)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

1-(4-fluorophenyl)ethanone; at 0 - 65 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c1cc13908h

Reference yield: 90.0%

β-chloro-β-(4-fluorophenyl)acrylaldehyde (55338-97-1) + isothiocyanatocyclohexane (1122-82-3) → 2-(3-chloro-3-(4-fluorophenyl)allylidene)-N-cyclohexylhydrazine-1-carbothioamide

Guidance literature:

With silica-supported ZnCl2 (30%); hydrazine hydrate; In neat (no solvent); at 50 - 60 ℃; for 0.25h; Reagent/catalyst;

DOI:10.1080/00397911.2019.1605443

Reference yield: 86.0%

β-chloro-β-(4-fluorophenyl)acrylaldehyde (55338-97-1) + 4-Methoxyphenyl isothiocyanate (2284-20-0) → 2-(3-chloro-3-(4-fluorophenyl)allylidene)-N-(4-methoxyphenyl)hydrazine-1-carbothioamide

Guidance literature:

With silica-supported ZnCl2 (30%); hydrazine hydrate; In neat (no solvent); at 50 - 60 ℃; for 0.666667h;

DOI:10.1080/00397911.2019.1605443

upstream raw materials:

1-(4-fluorophenyl)ethanone

N,N-dimethyl-formamide

Downstream raw materials:

[(Z)-3-Chloro-3-(4-fluoro-phenyl)-1-hydroxy-allyl]-phosphonic acid diethyl ester

5-chloro-1-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)penta-2,4-dien-1-one

5-chloro-5-(4-fluorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one

(2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one