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tert-butyl 3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}azetidine-1-carboxylate - 97%, high purity
Discover tert-butyl 3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}azetidine-1-carboxylate by Aladdin Scientific in 97% for only $141.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
877399-31-0 | tert-butyl 3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}azetidine-1-carboxylate | tert-Butyl 3-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)azetidine-1-carboxylate | MFCD18383284 | (1-((1-(tert-Butox
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Azetidinecarboxylic acids
Alternative Parents
Pyrazoles Heteroaromatic compounds Dioxaborolanes Carbamate esters Boronic acid esters Tertiary amines Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Azetidinecarboxylic acid - Azole - Boronic acid ester - 1,3,2-dioxaborolane - Pyrazole - Carbamic acid ester - Heteroaromatic compound - Boronic acid derivative - Tertiary amine - Organic metalloid salt - Azacycle - Oxacycle - Amine - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
tert-butyl 3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]azetidine-1-carboxylate
INCHI
InChI=1S/C18H30BN3O4/c1-16(2,3)24-15(23)21-9-13(10-21)11-22-12-14(8-20-22)19-25-17(4,5)18(6,7)26-19/h8,12-13H,9-11H2,1-7H3
InChIKey
DOHIZYSNAUZWCR-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3CN(C3)C(=O)OC(C)(C)C
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
363.300 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
363.233 Da
Monoisotopic Mass
363.233 Da
Topological Polar Surface Area
65.800 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
527.000
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
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