Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate
• CAS No.: 79128-68-0
• Molecular Formula: C8H6F3NO3S
• Molecular Weight: 253.202
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20384450
• Wikidata: Q82176601
• Mol file: 79128-68-0.mol

Synonyms:79128-68-0;Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate;3-(2,2,2-Trifluoro-acetylamino)-thiophene-2-carboxylic acid methyl ester;methyl 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate;2-Thiophenecarboxylic acid, 3-[(trifluoroacetyl)amino]-, methyl ester;3-(2,2,2-Trifluoroacetylamino)thiophene-2-carboxylic acid methyl ester;methyl 3-[(trifluoroacetyl)amino]thiophene-2-carboxylate;Methyl 3-(2,2,2-trifluoroacetamido)-thiophene-2-carboxylate;C8H6F3NO3S;Maybridge1_003131;SCHEMBL612157;HMS550G07;OSM-S-158;DTXSID20384450;Methyl3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate;MFCD00103374;STK426380;AKOS000281662;CCG-243472;DS-18217;4-(3,5-Dimethyl-pyrazol-1-yl)-butyricacid;CS-0030396;EN300-2009525;J-510457;methyl 3-(trifluoroacetylamino)-2-thiophenecarboxylate;Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate;METHYL 3-(TRIFLUOROACETAMIDO)THIOPHENE-2-CARBOXYLATE;3-(2,2,2-trifluoracetamido)thiophene-2-carboxylic acid methyl ester;3-(2,2,2-trifluoro-acetylaMino)-thiophene-2-carboxylicacidMethylester;3-[(2,2,2-Trifluoroacetyl)amino]-2-thiophenecarboxylic acid methyl ester, AldrichCPR

Chemical Property of Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate

Chemical Property:

• PSA: 83.64000
• LogP: 2.10850
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 253.00204871
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-(2,2,2-trifluoroacetamido)-thiophene-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CS1)NC(=O)C(F)(F)F

Technology Process of Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate

There total 2 articles about Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate 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: 99.0%

Methyl 3-aminothiophene-2-carboxylate (22288-78-4) + trifluoroacetic anhydride (407-25-0) → methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate (79128-68-0)

Guidance literature:

With pyridine; In acetonitrile; at 0 ℃; for 2h;

DOI:10.1016/j.bmcl.2007.02.012

Reference yield: 99.0%

Methyl 3-aminothiophene-2-carboxylate (22288-78-4) + trifluoroacetic acid (76-05-1) → methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate (79128-68-0)

Guidance literature:

at -10 - 20 ℃; for 1h;

DOI:10.1021/jm401420j

Reference yield:

methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate (79128-68-0) → 5-bromo-3-(2,2,2-trifluoracetamido)thiophene-2-carboxylic acid methyl ester (852330-31-5) + Methyl 3-aminothiophene-2-carboxylate (22288-78-4)

Guidance literature:

methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

With bromine; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2.5h;

upstream raw materials:

Methyl 3-aminothiophene-2-carboxylate

trifluoroacetic anhydride

trifluoroacetic acid

Downstream raw materials:

5-bromo-3-(2,2,2-trifluoracetamido)thiophene-2-carboxylic acid methyl ester

3-amino-5-bromo-thiophene-2-carboxylic acid methyl ester