6-Chloro-3-ethoxy-2-fluorobenzaldehyde

Base Information

• Chemical Name: 6-Chloro-3-ethoxy-2-fluorobenzaldehyde
• CAS No.: 363620-21-7
• Molecular Formula: C₉H₈ClFO₂
• Molecular Weight: 202.613
• DSSTox Substance ID: DTXSID901282399
• Mol file: 363620-21-7.mol

Synonyms:6-chloro-3-ethoxy-2-fluorobenzaldehyde;363620-21-7;Benzaldehyde, 6-chloro-3-ethoxy-2-fluoro-;6-chloro-3-ethoxy-2-fluoro-benzaldehyde;SCHEMBL6908583;FGYJEQRISUNQBH-UHFFFAOYSA-N;DTXSID901282399;MFCD25962746;CS-0191324;E92978

Chemical Property of 6-Chloro-3-ethoxy-2-fluorobenzaldehyde

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.0196853
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(C(=C(C=C1)Cl)C=O)F

Technology Process of 6-Chloro-3-ethoxy-2-fluorobenzaldehyde

There total 2 articles about 6-Chloro-3-ethoxy-2-fluorobenzaldehyde 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: 87.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-chloro-1-ethoxy-2-fluoro-benzene (289039-40-3) → 6-chloro-3-ethoxy-2-fluoro-benzaldehyde (363620-21-7)

Guidance literature:

4-chloro-1-ethoxy-2-fluoro-benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -65 ℃; for 0.75h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -65 - 20 ℃; Further stages.;

DOI:10.1021/ol0164177

Reference yield:

4-chloro-2-fluorophenol (348-62-9) → 6-chloro-3-ethoxy-2-fluoro-benzaldehyde (363620-21-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / K₂CO₃ / acetone

2: 75 percent / BuLi / tetrahydrofuran

With n-butyllithium; potassium carbonate; In tetrahydrofuran; acetone;

DOI:10.1021/ol017276b

Reference yield: 90.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 6-chloro-3-ethoxy-2-fluoro-benzaldehyde (363620-21-7) → 1-chloro-4-ethoxy-3-fluoro-2-vinylbenzene (167683-92-3)

Guidance literature:

With n-butyllithium; In tetrahydrofuran;

DOI:10.1021/ol017276b

upstream raw materials:

N,N-dimethyl-formamide

4-chloro-1-ethoxy-2-fluoro-benzene

4-chloro-2-fluorophenol

Downstream raw materials:

1-chloro-4-ethoxy-3-fluoro-2-vinylbenzene

(1S,2R)-cis-2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropanecarboxylic acid

ethyl (1S,2R)-cis-2-(6-chloro-3-ethoxy-2-fluorophenyl)-cyclopropanecarboxylate

tert-butyl (1S,2R)-cis-2-(6-chloro-3-ethoxy-2-fluorophenyl)-cyclopropanecarboxylate