N-[4-(difluoromethoxy)phenyl]acetamide

Base Information

• Chemical Name: N-[4-(difluoromethoxy)phenyl]acetamide
• CAS No.: 22236-11-9
• Molecular Formula: C9H9F2NO2
• Molecular Weight: 201.173
• Hs Code.: 29214200
• European Community (EC) Number: 606-960-2
• DSSTox Substance ID: DTXSID50579276
• Nikkaji Number: J3.337.818A
• Wikidata: Q72463125
• Mol file: 22236-11-9.mol

Synonyms:22236-11-9;4'-(Difluoromethoxy)acetanilide;N-[4-(difluoromethoxy)phenyl]acetamide;N-(4-(Difluoromethoxy)phenyl)acetamide;Acetamide, N-[4-(difluoromethoxy)phenyl]-;MFCD00467428;N-(4-Difluoromethoxyphenyl)-acetamide;SCHEMBL5952262;DTXSID50579276;YZAFOMJODXAJQD-UHFFFAOYSA-N;AKOS003620404;AC-8420;PS-6506;SY064685;CS-0153973;N-[4-[bis(fluoranyl)methoxy]phenyl]ethanamide;H10909;A816037;Z27080915

Chemical Property of N-[4-(difluoromethoxy)phenyl]acetamide

Chemical Property:

• Boiling Point: 338.579 °C at 760 mmHg
• PKA: 14.30±0.70(Predicted)
• Flash Point: 158.567 °C
• PSA: 38.33000
• Density: 1.275 g/cm³
• LogP: 2.31940
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 201.06013485
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

4''-(Difluoromethoxy)acetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)OC(F)F
• Uses: 4''-(Difluoromethoxy)acetanilide

Technology Process of N-[4-(difluoromethoxy)phenyl]acetamide

There total 5 articles about N-[4-(difluoromethoxy)phenyl]acetamide 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: 70.0%

→ N-[4-(difluoromethoxy)phenyl]-acetamide (22236-11-9)

Guidance literature:

With potassium hydroxide; In water; acetonitrile; at 20 ℃; for 0.0333333h;

Reference yield: 62.0%

4-difluoromethoxyaniline (22236-10-8) + acetic anhydride (108-24-7) → N-[4-(difluoromethoxy)phenyl]-acetamide (22236-11-9)

Guidance literature:

4-difluoromethoxyaniline; acetic anhydride; In chloroform; Heating / reflux;

With nitric acid; In chloroform; for 0.5h; Heating / reflux;

Reference yield: 58.0%

4-acetaminophenol (103-90-2,8055-08-1) + [bromo(difluoro)methyl]-trimethyl-silane (115262-01-6) → N-[4-(difluoromethoxy)phenyl]-acetamide (22236-11-9)

Guidance literature:

With potassium hydroxide; In dichloromethane; water; at 0 ℃; for 0.5h;

DOI:10.1002/anie.201306703

upstream raw materials:

4-difluoromethoxyaniline

acetic anhydride

Chlorodifluoromethane

4-acetaminophenol

Downstream raw materials:

SKA-47

4-difluoromethoxy-2-nitroaniline

4-(difluoromethoxy)benzene-1,2-diamine

N-[(4-difluoromethoxy-2-nitro)phenyl]-acetamide