4-Ethoxy-2,3-difluorobenzaldehyde

Base Information

• Chemical Name: 4-Ethoxy-2,3-difluorobenzaldehyde
• CAS No.: 126162-95-6
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.158
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90560986
• Nikkaji Number: J2.115.060F
• Wikidata: Q72471497
• Mol file: 126162-95-6.mol

Synonyms:4-Ethoxy-2,3-difluorobenzaldehyde;126162-95-6;Benzaldehyde, 4-ethoxy-2,3-difluoro-;4-Ethoxy-2,3-da4-Ethoxy-2,3-difluorobenzaldehydeifluorobenzaldehyde;4-ETHOXY-2,3-DIFLUORO BENZALDEHYDE;SCHEMBL2544586;DTXSID90560986;DYASUFNACNHJMK-UHFFFAOYSA-N;AMY36941;MFCD09258700;AKOS015956713;PS-8475;CS-0191518;A889628

Chemical Property of 4-Ethoxy-2,3-difluorobenzaldehyde

Chemical Property:

• Melting Point: 70℃
• Boiling Point: 252℃
• Flash Point: 103℃
• PSA: 26.30000
• Density: 1.240
• LogP: 2.17600
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Insoluble in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.04923582
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

4-Ethoxy-2,3-Difluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C(=C(C=C1)C=O)F)F
• Uses: 4-Ethoxy-2,3-difluorobenzaldehyde, is used as a pharmaceutical intermediate in antibiotics, as sedatives, and for cancer treatment.

Technology Process of 4-Ethoxy-2,3-difluorobenzaldehyde

There total 2 articles about 4-Ethoxy-2,3-difluorobenzaldehyde 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:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1-ethoxy-2,3-difluorobenzene → 4-ethoxy-2,3-difluorobenzaldehyde (126162-95-6)

Guidance literature:

1-ethoxy-2,3-difluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1039/b210765a

Reference yield:

→ 4-ethoxy-2,3-difluorobenzaldehyde (126162-95-6)

Guidance literature:

Reference yield: 98.0%

toluene-4-sulfonic acid hydrazide (1576-35-8) + 4-ethoxy-2,3-difluorobenzaldehyde (126162-95-6) → C16H16F2N2O3S (672955-98-5)

Guidance literature:

In methanol; at 65 ℃; for 0.5h;

DOI:10.1002/ejoc.200300448

upstream raw materials:

N,N-dimethyl-formamide

Downstream raw materials:

C₁₆H₁₆F₂N₂O₃S

(4-ethoxy-2,3-difluorophenyl)methanol

(4-ethoxy-2,3-difluorophenyl)diazomethane

1-ethoxy-2,3-difluoro-4-(iodomethyl)benzene