tert-Butyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate
- CAS
- 1236033-21-8
- Formula
- C11H12ClN3O2
- MW
- 253.68 g/mol
ZX-028197
API Impurities
Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate
Reference StandardAvailable on request
Buy Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate (CAS 1153949-11-1) from Zemixal. Request a quote with price, lead time and documents.
CAS number1153949-11-1
FormulaC10H14N2O2
Molar mass194.23 g/mol
Physical formSolid
HS code38229090
InChIKeyBESFCRTTXQYNBW-UHFFFAOYSA-N
IUPAC nametert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate
About Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate
Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate belongs to the Baricitinib reference-standard family in the Zemixal catalogue. Key data (Reference Standard): CAS 1153949-11-1, formula C10H14N2O2 and molar mass 194.23 g/mol. It is handled as a solid.
Common uses in the lab and plant
- Analytical method development
- Method validation (AMV)
- QC release testing
- ANDA / DMF filings
Handling and storage
It carries the GHS signal word Danger (H301+H311+H331, H301, H302 and H311), so wear gloves and eye protection and work with good ventilation.
Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and custom quantities are quoted on request. Every shipment includes a certificate of analysis with characterisation data. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.
Reference standards for Baricitinib
See every impurity, metabolite and related compound we list for this API.
Baricitinib standardsTypical uses
- Analytical method development
- Method validation (AMV)
- QC release testing
- ANDA / DMF filings
Applications
Specifications and identifiers
| Product name | Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate |
|---|---|
| Catalogue number | ZX-036816 |
| CAS number | 1153949-11-1 |
| IUPAC name | tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate |
| Molecular formula | C10H14N2O2 |
| Molar mass | 194.23 g/mol |
| Exact mass | 194.1055 |
| Grade | Reference Standard |
| Physical form | Solid |
| XLogP3 | 0.3 |
| H-bond donors / acceptors | 0 / 3 |
| Topological polar surface area | 53.3 Ų |
| HS code | 38229090 |
| InChIKey | BESFCRTTXQYNBW-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)N1CC(=CC#N)C1 |
| PubChem CID | 45789216 |
| 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 |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Danger
- 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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 10 mg | Quoted on request | |
| 25 mg | Quoted on request | |
| 50 mg | Quoted on request | |
| 100 mg | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate
Which CAS number identifies Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate?
Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate is registered under CAS 1153949-11-1. You may also see it listed as 1-Boc-3-(cyanomethylene)azetidine, 1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine, 1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester. Our catalogue number for this item is ZX-036816.
What are the formula and molar mass of Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate?
For Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate, its formula is C10H14N2O2 and its molar mass is 194.23 g/mol. The systematic (IUPAC) name is tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate. InChIKey BESFCRTTXQYNBW-UHFFFAOYSA-N lets you match it in any structure database.
How is Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate used in pharmaceutical QC?
Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate is a characterised reference material linked to Baricitinib. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate to my country?
Yes. Because Tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.
More Baricitinib standards
More in API Impurities
2-(3-(4-(1-(3-(Cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile
- CAS
- 2402776-84-3
- Formula
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- MW
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- CAS
- 1029716-44-6
- Formula
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- MW
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4-Chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine
- CAS
- 941685-26-3
- Formula
- C12H18ClN3OSi
- MW
- 283.83 g/mol
ZX-026860
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- CAS
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- Formula
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- MW
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ZX-023493
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