2,2,2-Trifluoro-N-(4-methoxyphenyl)acetamide

Base Information

• Chemical Name: 2,2,2-Trifluoro-N-(4-methoxyphenyl)acetamide
• CAS No.: 332-34-3
• Molecular Formula: C9H8F3NO2
• Molecular Weight: 219.163
• Hs Code.: 2924299090
• European Community (EC) Number: 621-177-6
• NSC Number: 405078
• DSSTox Substance ID: DTXSID10186844
• Nikkaji Number: J418.635D
• Wikidata: Q83058250
• Mol file: 332-34-3.mol

Synonyms:2,2,2-Trifluoro-N-(4-methoxyphenyl)acetamide;332-34-3;Acetanilide, 4'-methoxy-2,2,2-trifluoro-;p-Methoxytrifluoroacetanilide;Acetamide, N-(4-methoxyphenyl)-2,2,2-trifluoro-;2,2,2-Trifluoro-p-acetanisidide;4'-Methoxy-2,2,2-trifluoroacetanilide;BRN 2113152;C9H8F3NO2;2,2,2-Trifluoro-N-(4-methoxy-phenyl)-acetamide;p-Acetanisidide, 2,2,2-trifluoro-;4-Methoxy-2,2,2-trifluoroacetanilide;NSC405078;SCHEMBL5546903;DTXSID10186844;MFCD00452588;N-(Trifluoroacetyl)-4-methoxyaniline;STK023804;AKOS000485323;N-(4-methoxyphenyl) trifluoroacetamide;NSC 405078;NSC-405078;SB76881;2,2,2-Trifluoro-4'-methoxyacetanilide;BS-25231;EN300-240204;2,2,2-Trifluoro-N-(4-methoxyphenyl)acetamide #;A875356;AE-641/04187021;SR-01000321192;SR-01000321192-1;Z56756203;F3146-1921

Chemical Property of 2,2,2-Trifluoro-N-(4-methoxyphenyl)acetamide

Chemical Property:

• Vapor Pressure: 0.0022mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 289.4 °C at 760 mmHg
• Flash Point: 128.9 °C
• PSA: 38.33000
• Density: 1.345 g/cm³
• LogP: 2.26900
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 219.05071298
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-Trifluoro-N-(4-methoxyphenyl)acetamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=O)C(F)(F)F
• Uses: 2,2,2-Trifluoro-n-(4-methoxyphenyl)acetamide is useful in trifluoroacetylation reactions.

Technology Process of 2,2,2-Trifluoro-N-(4-methoxyphenyl)acetamide

There total 26 articles about 2,2,2-Trifluoro-N-(4-methoxyphenyl)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: 100.0%

4-methoxy-aniline (104-94-9) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-N-(4-methoxy-phenyl)-acetamide (332-34-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.tet.2006.03.099

Reference yield: 99.0%

ethyl trifluoroacetate, (383-63-1) + 4-methoxy-aniline (104-94-9) → 2,2,2-trifluoro-N-(4-methoxy-phenyl)-acetamide (332-34-3)

Guidance literature:

With lanthanum(lll) triflate; at 20 ℃; for 1h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/ol500593v

Reference yield: 98.0%

pyridinium trifluroacetate (464-05-1) + 4-methoxy-aniline (104-94-9) → 2,2,2-trifluoro-N-(4-methoxy-phenyl)-acetamide (332-34-3)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 6.5h; Reflux;

DOI:10.1016/j.tetlet.2009.01.088

upstream raw materials:

4-methoxy-aniline

trifluoroacetic anhydride

trifluoroacetic acid

p-methoxy-phenylazide

Downstream raw materials:

dimethyl 2-(2,2,2-trifluoro-N-(4-methoxyphenyl)acetamido)-3-(cyclohexylimino)methylene-succinate

N-(4-methoxyphenyl)trifluoroacetimidoyl chloride

N-(4-methoxyphenyl)-N-methyltrifluoroacetamide

N-(4-methoxyphenyl)-4-methylbenzamide

Refernces

• 1、 Zhao, Chenxi,Tang, Chu,Li, Changhao,Ning, Wentao,Hu, Zhiye,Xin, Lilan,Zhou, Hai-Bing,Huang, Jian. "Novel hybrid conjugates with dual estrogen receptor α degradation and histone deacetylase inhibitory activities for breast cancer therapy". . . Retrieved 2021/05/10.
• 2、 Lei, Shu-Hui,Zhong, Ya,Cai, Xian-Peng,Huang, Qing,Qu, Jian-Ping,Kang, Yan-Biao. "Direct Synthesis of β-Amino Aldehydes from Linear Allylic Esters Using O2as the Sole Oxidant". . p. 9273 - 9276. Retrieved 2021/12/06.