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1-(oxetan-3-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole - 97%, high purity , CAS No.1876473-44-7
Discover 1-(oxetan-3-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole by Aladdin Scientific in 97% for only $1,752.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1876473-44-7 | 1-(3-Oxetanyl)-1H-pyrazole-5-boronic acid pinacol ester | 1315280-58-0 | 1-(Oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole | (1-(Oxetan-3-yl)-1H-pyrazol-5-yl)boronic acid pinacol ester | 1-(oxetan-3-yl)-5-(tetramethyl-1,3,2-
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Boronic acid derivatives
Subclass
Boronic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Boronic acid esters
Alternative Parents
Pyrazoles Heteroaromatic compounds Dioxaborolanes Oxetanes Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Azole - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Pyrazole - Oxetane - Organic metalloid salt - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
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
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
1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
INCHI
InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)10-5-6-14-15(10)9-7-16-8-9/h5-6,9H,7-8H2,1-4H3
InChIKey
VHNCSHVEKCWKMA-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3COC3
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3COC3
Molecular Weight
250.11
Reaxy-Rn
29256470
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29256470&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
250.100 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
250.149 Da
Monoisotopic Mass
250.149 Da
Topological Polar Surface Area
45.500 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
317.000
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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