(E)-1-Chloro-3-fluoro-2-(2-nitrovinyl)benzene

Base Information

• Chemical Name: (E)-1-Chloro-3-fluoro-2-(2-nitrovinyl)benzene
• CAS No.: 60610-68-6
• Molecular Formula: C8H5ClFNO2
• Molecular Weight: 201.585
• Hs Code.: 2904909090
• European Community (EC) Number: 631-225-8,671-985-8
• Nikkaji Number: J1.318.440B
• Wikidata: Q106902651
• Mol file: 60610-68-6.mol

Synonyms:116272-78-7;60610-68-6;(E)-1-Chloro-3-fluoro-2-(2-nitrovinyl)benzene;1-chloro-3-fluoro-2-[(E)-2-nitroethenyl]benzene;2-CHLORO-6-FLUORO-OMEGA-NITROSTYRENE;1-(2-Chloro-6-fluorophenyl)-2-nitroethene;2-chloro-6-fluoro-beta-nitrostyrene;1-Chloro-3-fluoro-2-(2-nitrovinyl)benzene;Benzene, 1-chloro-3-fluoro-2-[(1E)-2-nitroethenyl]-;1-chloro-3-fluoro-2-(2-nitroethenyl)benzene;HMS562A09;SCHEMBL3861356;SCHEMBL3861363;ANM103475;MFCD00053064;AKOS009158841;AKOS025310020;2-CHLORO-6-FLUORO-W-NITROSTYRENE;CS-0441375;1-chloro-3-fluoro-2-[(E)-2-nitrovinyl]benzene;EN300-1966545;A803589;1-chloro-3-fluoro-2-[(1E)-2-nitroethenyl]benzene

Chemical Property of (E)-1-Chloro-3-fluoro-2-(2-nitrovinyl)benzene

Chemical Property:

• Melting Point: 62-65 °C(lit.)
• PSA: 45.82000
• LogP: 3.24970
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 200.9992843
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Chloro-6-fluorophenyl)-2-nitroethene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)C=C[N+](=O)[O-])F
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)/C=C/[N+](=O)[O-])F

Technology Process of (E)-1-Chloro-3-fluoro-2-(2-nitrovinyl)benzene

There total 2 articles about (E)-1-Chloro-3-fluoro-2-(2-nitrovinyl)benzene 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: 83.0%

nitromethane (75-52-5) + 2-chloro-6-fluorobenzaldehyde (387-45-1) → 1-(2-Chlor-6-fluorphenyl)-2-nitroaethylen (60610-68-6,116272-78-7)

Guidance literature:

With potassium hydroxide; Agar-agar aqua gel; In ethanol; acetonitrile; at 25 ℃; for 0.5h;

DOI:10.1080/00397910008087384

Reference yield:

→ 1-(2-Chlor-6-fluorphenyl)-2-nitroaethylen (60610-68-6,116272-78-7)

Guidance literature:

With ammonium acetate; In toluene; at 100 ℃;

Reference yield: 97.0%

dimethyl allylmalonate (40637-56-7) + 1-(2-Chlor-6-fluorphenyl)-2-nitroaethylen (60610-68-6,116272-78-7) → C16H17ClFNO6

Guidance literature:

dimethyl allylmalonate; 1-(2-Chlor-6-fluorphenyl)-2-nitroaethylen; With 9-epiquinidine; In tetrahydrofuran; at 20 ℃; for 48h;

With chloro-trimethyl-silane; triethylamine; In tetrahydrofuran; at -30 - 20 ℃;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; optical yield given as %ee; enantioselective reaction;

DOI:10.1039/c0cc01940b

upstream raw materials:

nitromethane

2-chloro-6-fluorobenzaldehyde

Downstream raw materials:

4-(2-chloro-6-fluoro-phenyl)-3-(4-chloro-phenyl)-1-phenyl-1H-pyrazole

C₁₇H₁₃ClFNO₄

diethyl 2-(1-(2-chloro-6-fluorophenyl)-2-nitroethyl)-malonate

1-benzyl-5-(2-chloro-6-fluorophenyl)-1H-1,2,3-triazole