(3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-… 102123-74-0

Name: (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone
Brand: Vaqora Chemicals
SKU: VQ-039057

About (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone

(3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone (CAS 102123-74-0) is an impurity of Atazanavir offered by Vaqora Chemicals. Formula C15H20ClNO3, molecular weight 297.78 g/mol. Systematically, it is named tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate. It is also known as CS-B0125.

The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. It carries the GHS signal word “Danger” with 4 hazard statements. Review the Safety Data Sheet before use.

Pharmaceutical QC and development laboratories use this impurity standard of Atazanavir to develop and validate HPLC methods, to set specification limits and to document impurity profiles in ANDA and DMF submissions. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

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

Industries

Related to Atazanavir

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

Atazanavir impurities

Specifications & identifiers

Chemical identifiers
Product name	(3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone
Catalogue No.	VQ-039057
CAS Number	102123-74-0
IUPAC name	tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
Molecular formula	C₁₅H₂₀ClNO₃
Molecular weight	297.78 g/mol
Exact mass	297.1132
Grade	Reference Standard
HSN code	38229090
InChIKey	JAKDNFBATYIEIE-LBPRGKRZSA-N
SMILES	CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCl
PubChem CID	9926241

Physical properties
Physical form	Solid
LogP (XLogP3)	3.3
H-bond donors / acceptors	1 / 3
TPSA	55.4 Å²
Synonyms	tert-Butyl (S)-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate, (3S)-3-(N-Boc-amino)-1-chloro-4-phenyl-2-butanone, tert-butyl N-((2S)-4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate, (S)-tert-Butyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate, Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester, Carbamic acid, N-((1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl ester, tert-Butyl N-((1S)-1-Benzyl-3-chloro-2-oxopropyl)carbamate, CS-B0125, (S)-3-(Boc-amino)-1-chloro-4-phenyl-2-butanone, (3S)-1-chloro-3-tert-butoxycarbonylamino-4-phenyl-2-butanone

Safety & hazard information (GHS)

Corrosive

Harmful / irritant

Signal word: Danger

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H318Causes serious eye damage
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P354 + P338, P317, P319, P321, P330, P332 + P317, P362 + P364, P403 + P233, P405, 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 (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone?

The CAS Registry Number of (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone is 102123-74-0. It is also known as tert-Butyl (S)-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate, (3S)-3-(N-Boc-amino)-1-chloro-4-phenyl-2-butanone, tert-butyl N-((2S)-4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate.

What is the molecular formula and molecular weight of (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone?

(3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate.

What is (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone used for?

(3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone is supplied as a characterised reference material related to Atazanavir. 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 (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone can I order?

We supply (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone 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 (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone?

Yes. Every lot of (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone 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 (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone be shipped internationally?

Yes. (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone 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.