Tert-Butyl 3-(cyanomethylene)azetidine-1-carb… 1153949-11-1

Name: Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate
Brand: Vaqora Chemicals
SKU: VQ-044718

About Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate

Listed under CAS 1153949-11-1, Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate is an impurity of Baricitinib available from Vaqora Chemicals. Formula C10H14N2O2, molecular weight 194.23 g/mol. Its systematic (IUPAC) name is tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate. It is also known as 1-Boc-3-(cyanomethylene)azetidine or tert-butyl-3-(cyanomethylene)az.

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 “Danger” with 10 hazard statements. Review the Safety Data Sheet before use.

Pharmaceutical QC and development laboratories use this impurity standard of Baricitinib to develop and validate HPLC methods, to set specification limits and to document impurity profiles in ANDA and DMF submissions. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

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

Industries

Related to Baricitinib

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

Baricitinib impurities

Specifications & identifiers

Chemical identifiers
Product name	Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate
Catalogue No.	VQ-044718
CAS Number	1153949-11-1
IUPAC name	tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate
Molecular formula	C₁₀H₁₄N₂O₂
Molecular weight	194.23 g/mol
Exact mass	194.1055
Grade	Reference Standard
HSN code	38229090
InChIKey	BESFCRTTXQYNBW-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)N1CC(=CC#N)C1
PubChem CID	45789216

Physical properties
Physical form	Solid
LogP (XLogP3)	0.3
H-bond donors / acceptors	0 / 3
TPSA	53.3 Å²
Synonyms	1-Boc-3-(cyanomethylene)azetidine, 1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine, 1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester, 3-(Cyanomethylene)-1-azetidinecarboxylic acid tert-butyl ester, tert-butyl-3-(cyanomethylene)az, t-butyl 3-(cyanomethylene)azetidine-1-carboxylate, 2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate, 3-(Cyanomethylene)azetidine-1-carboxylic Acid tert-Butyl Ester

Safety & hazard information (GHS)

Toxic

Harmful / irritant

Signal word: Danger

Hazard statements

H301+H311+H331Toxic if swallowed, in contact with skin or if inhaled
H301Toxic if swallowed
H302Harmful if swallowed
H311Toxic in contact with skin
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H331Toxic if inhaled
H332Harmful if inhaled
H335May cause respiratory irritation

Precautionary statements: P261, P262, P264, P264 + P265, P270, P271, P280, P301 + P316, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P316, P317, P319, P321, P330, P332 + P317, P337 + P317, P361 + P364, 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 Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate?

The CAS Registry Number of Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate is 1153949-11-1. It is also known as 1-Boc-3-(cyanomethylene)azetidine, 1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine, 1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester.

What is the molecular formula and molecular weight of Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate?

Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate.

What is Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate used for?

Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate is supplied as a characterised reference material related to Baricitinib. 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 Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate can I order?

We supply Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate 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 Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate?

Yes. Every lot of Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate 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 Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate be shipped internationally?

Yes. Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate 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.