2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide

Base Information

• Chemical Name: 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide
• CAS No.: 351-38-2
• Molecular Formula: C9H7ClF3NO
• Molecular Weight: 237.609
• Hs Code.: 2924299090
• European Community (EC) Number: 661-377-0
• DSSTox Substance ID: DTXSID10353094
• Wikidata: Q82130546
• Mol file: 351-38-2.mol

Synonyms:351-38-2;2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide;N-(Chloroacetyl)-3-(trifluoromethyl)aniline;2-chloro-n-(3-(trifluoromethyl)phenyl)acetamide;n-chloroacetyl-3-(trifluoromethyl)aniline;n1-[3-(trifluoromethyl)phenyl]-2-chloroacetamide;2-Chloro-N-(3-trifluoromethyl-phenyl)-acetamide;Acetamide, 2-chloro-N-[3-(trifluoromethyl)phenyl]-;SCHEMBL965028;DTXSID10353094;JS-104C;MFCD00084932;STK353592;AKOS000265896;SB76765;2-chloro-3'-(trifluoromethyl)acetanilide;BB 0243193;FT-0632011;2-Chloro-N-(3-trifluoromethylphenyl)acetamide;EN300-01496;2-chloro-N-(3-trifluoromethyl-phenyl)acetamide;2-Chloro-N-(3-trifluoromethyl-phenyl)-acetam ide;A822598;SR-01000362774;J-523387;SR-01000362774-1;Z56896276;F0307-0397

Chemical Property of 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide

Chemical Property:

• Vapor Pressure: 0.000216mmHg at 25°C
• Melting Point: 62,5-64°C
• Refractive Index: 1.513
• Boiling Point: 326.444 °C at 760 mmHg
• PKA: 12.35±0.70(Predicted)
• Flash Point: 151.228 °C
• PSA: 29.10000
• Density: 1.419 g/cm³
• LogP: 2.95570
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 237.0168260
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-N-[3-(trifluoromethyl)phenyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC(=O)CCl)C(F)(F)F

Technology Process of 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide

There total 2 articles about 2-chloro-N-[3-(trifluoromethyl)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: 100.0%

→ N-chloroacetyl-3-(trifluoromethyl)aniline (351-38-2)

Guidance literature:

Reference yield: 97.0%

3-trifluoromethylaniline (98-16-8) + chloroacetyl chloride (79-04-9) → N-chloroacetyl-3-(trifluoromethyl)aniline (351-38-2)

Guidance literature:

With triethylamine; In dichloromethane; at 10 - 20 ℃;

Reference yield: 92.0%

N-chloroacetyl-3-(trifluoromethyl)aniline (351-38-2) + 5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole-2(3H)-thione → 2-{[5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]thio}-N-[3-(trifluoromethyl)phenyl]acetamide

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 10h;

DOI:10.1007/s11164-015-2170-7

upstream raw materials:

3-trifluoromethylaniline

chloroacetyl chloride

Downstream raw materials:

ethyl 3-<2-<<3-(trifluoromethyl)phenyl>amino>-2-oxoethyl>-3,4-dihydro-4-oxo-1-phthalazineacetate

N-(3-trifluoromethylphenyl)-2-iodoacetamide

{4-Oxo-3-[(3-trifluoromethyl-phenylcarbamoyl)-methyl]-3,4-dihydro-phthalazin-1-yl}-acetic acid

{4-Oxo-3-[(3-trifluoromethyl-phenylthiocarbamoyl)-methyl]-3,4-dihydro-phthalazin-1-yl}-acetic acid

Refernces

• 1、 ?vajger, Urban,Bratkovi?, Toma?,Dol?ak, Ana,Gobec, Stanislav,Mlinari?, Larisa,Ogorevc, Eva,Sova, Matej. "Novel selective ido1 inhibitors with isoxazolo[5,4-d]pyrimidin-4(5h)-one scaffold". . . Retrieved 2021/04/02.
• 2、 -. "PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE". Paragraph 00344-00346. . Retrieved 2021/11/26.