≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCNC(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate |
| InChIKey | REFRJKFVMSRUEM-UHFFFAOYSA-N |
| INCHI | 1S/C16H28BN3O4/c1-14(2,3)22-13(21)18-8-9-20-11-12(10-19-20)17-23-15(4,5)16(6,7)24-17/h10-11H,8-9H2,1-7H3,(H,18,21) |
| Isómeros SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCNC(=O)OC(C)(C)C |
| PubChem CID | 71014511 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Boronic acid derivatives |
| Subclass | Boronic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Boronic acid esters |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Dioxaborolanes Carbamate esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Azole - Boronic acid ester - 1,3,2-dioxaborolane - Pyrazole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue). |
| External Descriptors | Not available |
| Peso molecular | 337.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 337.217 Da |
| Monoisotopic Mass | 337.217 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 449.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate - ≥97% CAS No(1414475-01-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/6/T677842.jpg)