2-Difluoromethoxy-naphthalene-1-carbaldehyde

Base Information

• Chemical Name: 2-Difluoromethoxy-naphthalene-1-carbaldehyde
• CAS No.: 80395-32-0
• Molecular Formula: C₁₂H₈F₂O₂
• Molecular Weight: 222.191
• European Community (EC) Number: 854-717-6
• Mol file: 80395-32-0.mol

Synonyms:2-Difluoromethoxy-naphthalene-1-carbaldehyde;80395-32-0;2-(difluoromethoxy)naphthalene-1-carbaldehyde;2-(difluoromethoxy)-1-naphthaldehyde;2-(Difluoromethoxy)naphthalene-1-carboxaldehyde;SCHEMBL11273206;AKOS000300140;AT12912;SB85540;CS-0235878;EN300-16413;AF-399/14864030;Z55671897

Chemical Property of 2-Difluoromethoxy-naphthalene-1-carbaldehyde

Chemical Property:

• PSA: 26.30000
• LogP: 3.25370
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.04923582
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

2-Difluoromethoxy-naphthalene-1-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2C=O)OC(F)F

Technology Process of 2-Difluoromethoxy-naphthalene-1-carbaldehyde

There total 1 articles about 2-Difluoromethoxy-naphthalene-1-carbaldehyde 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: 73.0%

Chlorodifluoromethane (75-45-6) + 2-hydroxynaphthalene-1-carbaldehyde (708-06-5) → 2-(difluoromethoxy)-1-naphthaldehyde (80395-32-0)

Guidance literature:

With sodium hydroxide; sodium dithionite; In 1,4-dioxane; water; at 65 - 70 ℃; for 5h;

Reference yield:

2-(difluoromethoxy)-1-naphthaldehyde (80395-32-0) → (S)-N-((S)-5-(4-cyanobenzoyl)-1-((2-(difluoromethoxy)naphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide

Guidance literature:

Multi-step reaction with 4 steps

1: sodium tetrahydroborate / ethanol / 3 h

2: triethylamine / dichloromethane / 20 h

3: caesium carbonate; sodium hydride / N,N-dimethyl-formamide / 16 h

4: hydrogenchloride / methanol; diethyl ether / 2 h / 20 °C

With hydrogenchloride; sodium tetrahydroborate; sodium hydride; caesium carbonate; triethylamine; In methanol; diethyl ether; ethanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

2-(difluoromethoxy)-1-naphthaldehyde (80395-32-0) → tert-butyl (S)-1-((S)-5-(4-cyanobenzoyl)-1-((2-(difluoromethoxy)naphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylamino)-1-oxopropan-2-yl(methyl)carbamate

Guidance literature:

Multi-step reaction with 3 steps

1: sodium tetrahydroborate / ethanol / 3 h

2: triethylamine / dichloromethane / 20 h

3: caesium carbonate; sodium hydride / N,N-dimethyl-formamide / 16 h

With sodium tetrahydroborate; sodium hydride; caesium carbonate; triethylamine; In ethanol; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

Chlorodifluoromethane

2-hydroxynaphthalene-1-carbaldehyde

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