Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate

Basic Information

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CAS Number

79128-68-0

Molecular Formula

C8H6F3NO3S

Molecular Weight

253.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

76-77 ºC (ligroine )

Density

1.522±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC(=O)C1=C(C=CS1)NC(=O)C(F)(F)F

InChI

InChI=1S/C8H6F3NO3S/c1-15-6(13)5-4(2-3-16-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)

InChIKey

CJNCTQZMIQZVQQ-UHFFFAOYSA-N

LogP

2.0355000000000003

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

295

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

79128-68-0
HMS550G07
3-(2,2,2-Trifluoroacetylamino)thiophene-2-carboxylic acid methyl ester
Maybridge1_003131
EN300-2009525
Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate
3-(2,2,2-Trifluoro-acetylamino)-thiophene-2-carboxylic acid methyl ester
Methyl3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate
CCG-243472
METHYL 3-(TRIFLUOROACETAMIDO)THIOPHENE-2-CARBOXYLATE
C8H6F3NO3S
methyl 3-[(trifluoroacetyl)amino]thiophene-2-carboxylate
3-(2,2,2-trifluoro-acetylaMino)-thiophene-2-carboxylicacidMethylester
2-Thiophenecarboxylic acid, 3-[(trifluoroacetyl)amino]-, methyl ester
Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate
OSM-S-158
AKOS000281662
DTXSID20384450
Methyl 3-(2,2,2-trifluoroacetamido)-thiophene-2-carboxylate
MFCD00103374
SCHEMBL612157
3-(2,2,2-trifluoracetamido)thiophene-2-carboxylic acid methyl ester
methyl 3-(trifluoroacetylamino)-2-thiophenecarboxylate
methyl 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
DS-18217
3-[(2,2,2-Trifluoroacetyl)amino]-2-thiophenecarboxylic acid methyl ester, AldrichCPR
J-510457
CS-0030396
4-(3,5-Dimethyl-pyrazol-1-yl)-butyricacid
3-(2,2,2-TRIFLUORO-ACETYLAMINO)-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
KSC646I7B

MDL Number

MFCD00103374

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 79128-68-0)?

Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate is a crystalline solid with a molecular weight of approximately 337.08 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and dimethylformamide. The compound is known for its reactivity, particularly towards nucleophiles due to the presence of the trifluoroacetyl group.

How is Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 79128-68-0) typically synthesized?

Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate is synthesized through a multi-step process involving the protection of a thiophene ring with trifluoroacetic anhydride, followed by amino substitution. The reaction is catalyzed by a strong base like sodium hydride, and the overall yield is around 75%.

What industries use Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 79128-68-0)?

Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate finds applications in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS: 79128-68-0)?

When handling Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work must be conducted in a well-ventilated area or a fume hood to avoid inhalation. In case of spills, immediately clean up using appropriate absorbents and follow safety data sheet (SDS) guidelines for disposal.