(S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)… 666832-71-9

Name: (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid
Brand: Vaqora Chemicals
SKU: VQ-044248

About (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid

Vaqora Chemicals supplies (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid, an impurity of Nirmatrelvir registered under CAS number 666832-71-9. Formula C8H12F3NO3, molecular weight 227.18 g/mol. The IUPAC name is (2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid. Alternative names: 3-Methyl-N-(trifluoroacetyl)-L-valine and L-Valine, 3-methyl-N-(trifluoroacetyl)-.

The product is provided as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. It carries the GHS signal word “Warning” with 5 hazard statements. Review the Safety Data Sheet before use.

This Nirmatrelvir impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

We offer (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Nirmatrelvir

View every impurity, metabolite and intermediate we list for Nirmatrelvir.

Nirmatrelvir impurities

Specifications & identifiers

Chemical identifiers
Product name	(S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid
Catalogue No.	VQ-044248
CAS Number	666832-71-9
IUPAC name	(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Molecular formula	C₈H₁₂F₃NO₃
Molecular weight	227.18 g/mol
Exact mass	227.0769
Grade	Reference Standard
HSN code	38229090
InChIKey	FCTPLAZWXGEGKO-SCSAIBSYSA-N
SMILES	CC(C)(C)[C@@H](C(=O)O)NC(=O)C(F)(F)F
PubChem CID	61143129

Physical properties
Physical form	Solid
LogP (XLogP3)	2
H-bond donors / acceptors	2 / 6
TPSA	66.4 Å²
Synonyms	3-Methyl-N-(trifluoroacetyl)-L-valine, L-Valine, 3-methyl-N-(trifluoroacetyl)-, L-Valine, 3-methyl-N-(trifluoroacetyl)- (9CI), (2S)-3,3-Dimethyl-2-((2,2,2-trifluoroacetyl)amino)butanoic acid, n-trifluoroacetyltert-leucine, (2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid, (2S)-3,3-dimethyl-2-(trifluoroacetamido)butanoic acid, (2S)-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoic acid

Safety & hazard information (GHS)

Harmful / irritant

Health hazard

Signal word: Warning

Hazard statements

H302+H312+H332Harmful if swallowed, in contact with skin or if inhaled
H302Harmful if swallowed
H312Harmful in contact with skin
H332Harmful if inhaled
H373May causes damage to organs through prolonged or repeated exposure

Precautionary statements: P260, P261, P264, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P317, P319, P321, P330, P362 + P364, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid?

The CAS Registry Number of (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid is 666832-71-9. It is also known as 3-Methyl-N-(trifluoroacetyl)-L-valine, L-Valine, 3-methyl-N-(trifluoroacetyl)-, L-Valine, 3-methyl-N-(trifluoroacetyl)- (9CI).

What is the molecular formula and molecular weight of (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid?

(S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid.

What is (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid used for?

(S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid is supplied as a characterised reference material related to Nirmatrelvir. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid can I order?

We supply (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid?

Yes. Every lot of (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid be shipped internationally?

Yes. (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.