N-[3-(trifluoromethyl)phenyl]butanamide

Base Information

• Chemical Name: N-[3-(trifluoromethyl)phenyl]butanamide
• CAS No.: 2339-19-7
• Molecular Formula: C11H12 F3 N O
• Molecular Weight: 231.218
• NSC Number: 71572
• DSSTox Substance ID: DTXSID80946058
• Wikidata: Q82923536
• Mol file: 2339-19-7.mol

Synonyms:N-[3-(trifluoromethyl)phenyl]butanamide;2339-19-7;NSC71572;SCHEMBL9843030;DTXSID80946058;XHWKHSSEIHAIPC-UHFFFAOYSA-N;NSC-71572;STK151432;AKOS002944245;N-[3-(Trifluoromethyl)phenyl]butanimidic acid;AN-652/10824061

Chemical Property of N-[3-(trifluoromethyl)phenyl]butanamide

Chemical Property:

• Vapor Pressure: 0.000318mmHg at 25°C
• Boiling Point: 320.4°Cat760mmHg
• Flash Point: 147.6°C
• Density: 1.223g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 231.08709849
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC1=CC=CC(=C1)C(F)(F)F

Technology Process of N-[3-(trifluoromethyl)phenyl]butanamide

There total 2 articles about N-[3-(trifluoromethyl)phenyl]butanamide 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: 91.0%

butanoic acid anhydride (106-31-0) + 3-trifluoromethylaniline (98-16-8) → N-(3-(trifluoromethyl)phenyl)butyramide (2339-19-7)

Guidance literature:

butanoic acid anhydride; 3-trifluoromethylaniline; With hydrogenchloride; In water;

With hydrogenchloride; In water; at 100 ℃;

DOI:10.1016/j.ejmech.2019.111748

Reference yield:

→ N-(3-(trifluoromethyl)phenyl)butyramide (2339-19-7)

Guidance literature:

/BRN= 2735929/;

Reference yield: 11.0%

N-(3-(trifluoromethyl)phenyl)butyramide (2339-19-7) → N-(2-nitro-3-(trifluoromethyl)phenyl)butyramide

Guidance literature:

With nitric acid; at -10 ℃; for 1h;

DOI:10.1016/j.ejmech.2019.111748

upstream raw materials:

butanoic acid anhydride

3-trifluoromethylaniline

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