3-Chloro-4-(difluoromethoxy)aniline hydrochloride

Base Information

• Chemical Name: 3-Chloro-4-(difluoromethoxy)aniline hydrochloride
• CAS No.: 115700-24-8
• Molecular Formula: C7H7Cl2F2NO
• Molecular Weight: 230.04
• DSSTox Substance ID: DTXSID00516111
• Mol file: 115700-24-8.mol

Synonyms:3-chloro-4-(difluoromethoxy)aniline hydrochloride;115700-24-8;3-Chloro-4-(difluoromethoxy)aniline, HCl;3-chloro-4-(difluoromethoxy)aniline;hydrochloride;DTXSID00516111;MFCD08447168;AKOS016000319;SB85527;BS-19470;CS-0205806;EN300-02421;3-chloro-4-(difluoromethoxy)anilinehydrochloride;A824462;A893830;4-[bis(fluoranyl)methoxy]-3-chloranyl-aniline hydrochloride;3-Chloro-4-(difluoromethoxy)aniline--hydrogen chloride (1/1);Benzenamine, 3-chloro-4-(difluoromethoxy)-, hydrochloride (1:1)

Chemical Property of 3-Chloro-4-(difluoromethoxy)aniline hydrochloride

Chemical Property:

• PSA: 35.25000
• LogP: 3.90680
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 228.9872756
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-4-(difluoromethoxy)anilineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)Cl)OC(F)F.Cl
• Uses: 3-Chloro-4-(difluoromethoxy)aniline, HCl

Technology Process of 3-Chloro-4-(difluoromethoxy)aniline hydrochloride

There total 2 articles about 3-Chloro-4-(difluoromethoxy)aniline hydrochloride 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: 95.0%

2-chloro-1-(difluoromethoxy)-4-nitrobenzene (40319-63-9) → 3-Chloro-4-difluoromethoxy-phenylamine; hydrochloride (115700-24-8)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; In ethanol; for 0.75h; under 2585.7 Torr;

DOI:10.1002/jps.2600770521

Reference yield:

2-chloro-4-nitrophenol (619-08-9) → 3-Chloro-4-difluoromethoxy-phenylamine; hydrochloride (115700-24-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / aq. NaOH / tetrahydrofuran / 18 h / 40 - 45 °C

2: 95 percent / aq. HCl / Pd/C / ethanol / 0.75 h / 2585.7 Torr

With hydrogenchloride; sodium hydroxide; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1002/jps.2600770521

Reference yield:

3-Chloro-4-difluoromethoxy-phenylamine; hydrochloride (115700-24-8) → 6-Difluoromethoxy-1-ethyl-4-oxo-7-(4-phenyl-piperazin-1-yl)-1,4-dihydro-quinoline-3-carboxylic acid

Guidance literature:

Multi-step reaction with 5 steps

1: 87 percent / Et₃N / 16 h / 120 - 130 °C

2: 70 percent / diphenyl ether / 0.75 h / Heating

3: K₂CO₃ / dimethylformamide / 24 h / 90 - 95 °C

4: 86 percent / aq. NaOH / 4 h / Heating

5: 90 percent / 3 h / 130 - 140 °C

With sodium hydroxide; potassium carbonate; triethylamine; In diphenylether; N,N-dimethyl-formamide;

DOI:10.1002/jps.2600770521

upstream raw materials:

2-chloro-1-(difluoromethoxy)-4-nitrobenzene

2-chloro-4-nitrophenol

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