4-(Difluoromethoxy)-3,5-dimethylbenzaldehyde

Base Information

• Chemical Name: 4-(Difluoromethoxy)-3,5-dimethylbenzaldehyde
• CAS No.: 749920-58-9
• Molecular Formula: C₁₀H₁₀F₂O₂
• Molecular Weight: 200.185
• DSSTox Substance ID: DTXSID80366636
• Wikidata: Q82151949
• Mol file: 749920-58-9.mol

Synonyms:4-(difluoromethoxy)-3,5-dimethylbenzaldehyde;749920-58-9;SCHEMBL16761914;DTXSID80366636;AKOS008962421;AT12920;CS-0221766;EN300-09977;4-(Difluoromethoxy)-3,5-dimethyl benzaldehyde;SR-01000053485;A1-06278;SR-01000053485-1;Z55672075;4-(difluoromethoxy)-3,5-dimethylbenzaldehyde, AldrichCPR

Chemical Property of 4-(Difluoromethoxy)-3,5-dimethylbenzaldehyde

Chemical Property:

• Boiling Point: 260.7±35.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.185±0.06 g/cm3(Predicted)
• LogP: 2.71730
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 200.06488588
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

4-(difluoromethoxy)-3,5-dimethylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC(F)F)C)C=O

Technology Process of 4-(Difluoromethoxy)-3,5-dimethylbenzaldehyde

There total 1 articles about 4-(Difluoromethoxy)-3,5-dimethylbenzaldehyde 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:

4-hydroxy-3,5-dimethylbenzaldehyde (2233-18-3) + sodium chlorodifluoroacetate (1895-39-2) → 4-(difluoromethoxy)-3,5-dimethylbenzaldehyde (749920-58-9)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 120 ℃; for 4.5h;

Reference yield:

4-(difluoromethoxy)-3,5-dimethylbenzaldehyde (749920-58-9) → C19H23F2NO3

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 24 h / 20 - 25 °C / Inert atmosphere

2: sodium tetrahydroborate; methanol / neat (no solvent) / 6 h / 20 - 25 °C / Inert atmosphere

With methanol; sodium tetrahydroborate; In toluene;

Reference yield:

4-(difluoromethoxy)-3,5-dimethylbenzaldehyde (749920-58-9) → N-(4-(difluoromethoxy)-3,5-dimethylbenzyl)-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide

Guidance literature:

Multi-step reaction with 4 steps

1: toluene / 24 h / 20 - 25 °C / Inert atmosphere

2: sodium tetrahydroborate; methanol / neat (no solvent) / 6 h / 20 - 25 °C / Inert atmosphere

3: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 12 h / 20 - 25 °C / Inert atmosphere

4: water; trifluoroacetic acid / neat (no solvent) / 12 h / Inert atmosphere

With methanol; sodium tetrahydroborate; water; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In N,N-dimethyl-formamide; toluene;

upstream raw materials:

4-hydroxy-3,5-dimethylbenzaldehyde

sodium chlorodifluoroacetate

Refernces