3-Cyclopentyloxy-4-difluoromethoxy-benzaldehyde

Base Information

• Chemical Name: 3-Cyclopentyloxy-4-difluoromethoxy-benzaldehyde
• CAS No.: 153587-14-5
• Molecular Formula: C13H14 F2 O3
• Molecular Weight: 256.249
• DSSTox Substance ID: DTXSID30590267
• Wikidata: Q82484001
• Mol file: 153587-14-5.mol

Synonyms:153587-14-5;3-Cyclopentyloxy-4-difluoromethoxy-benzaldehyde;3-(cyclopentyloxy)-4-(difluoromethoxy)benzaldehyde;3-Cyclopentyloxy-4-(difluoromethoxy)benzaldehyde;3-Cyclopentyloxy-4-difluoromethoxybenzaldehyde;Benzaldehyde, 3-(cyclopentyloxy)-4-(difluoromethoxy)-;SCHEMBL498509;DTXSID30590267;DB-315336;A1-06256

Chemical Property of 3-Cyclopentyloxy-4-difluoromethoxy-benzaldehyde

Chemical Property:

• Boiling Point: 348.4±37.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.249±0.06 g/cm3(Predicted)
• LogP: 3.42190
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 256.09110063
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

Benzaldehyde 3-(cyclopentyloxy)-4-(difluoromethoxy)-95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)OC2=C(C=CC(=C2)C=O)OC(F)F

Technology Process of 3-Cyclopentyloxy-4-difluoromethoxy-benzaldehyde

There total 6 articles about 3-Cyclopentyloxy-4-difluoromethoxy-benzaldehyde 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: 100.0%

Cyclopentyl bromide (137-43-9) + 4-difluoromethoxy-3-hydroxybenzaldehyde (151103-08-1) → 3-Cyclopentyloxy-4-difluoromethoxybenzaldehyde (153587-14-5)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide);

Reference yield:

3-cyclopentyloxy-4-hydroxybenzaldehyde + Chlorodifluoromethane (75-45-6) → 3-Cyclopentyloxy-4-difluoromethoxybenzaldehyde (153587-14-5)

Guidance literature:

With potassium iodide; potassium carbonate; In water; N,N-dimethyl-formamide;

Reference yield:

3,4-dihydroxybenzaldehyde (139-85-5) → 3-Cyclopentyloxy-4-difluoromethoxybenzaldehyde (153587-14-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Cs₂CO₃ / dimethylformamide

2: Cs₂CO₃ / dimethylformamide

With caesium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(02)00190-7

upstream raw materials:

4-difluoromethoxy-3-hydroxybenzaldehyde

3,4-dihydroxybenzaldehyde

Chlorodifluoromethane

Cyclopentyl bromide

Downstream raw materials:

(4-chloro-phenyl)-(3-cyclopentyloxy-4-difluoromethoxy-phenyl)-methanol

3-(cyclopentyloxy)-4-(difluoromethoxy)benzoic acid

1-(3-cyclopentyloxy-4-difluoromethoxyphenyl)-3-methylbutan-1-ol

3-cyclopentyloxy-4-difluoromethoxybenzoyl chloride

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