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ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)propanoate - 97%, high purity , CAS No.1201657-32-0

COA

Grade & Purity:

≥97%

Cas Number: 1201657-32-0
Molecular Weight: 308.181
PubChem CID: 58204434

In stock

Item Number

E172508

Grouped product items
SKU	Size	Availability	Price	Qty
E172508-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,285.90

Basic Description

Synonyms	1201657-32-0 \| ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate \| (1-(1-ETHOXY-2-METHYL-1-OXOPROPAN-2-YL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER \| ethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)p
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Pyrazoles Heteroaromatic compounds Dioxaborolanes Boronic acid esters Carboxylic acid esters Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid or derivatives - Azole - Boronic acid ester - Heteroaromatic compound - Pyrazole - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxylic acid ester - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen 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 alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	ethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate
INCHI	InChI=1S/C15H25BN2O4/c1-8-20-12(19)13(2,3)18-10-11(9-17-18)16-21-14(4,5)15(6,7)22-16/h9-10H,8H2,1-7H3
InChIKey	FIXNVGDENQNXPD-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)(C)C(=O)OCC
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)(C)C(=O)OCC
Molecular Weight	308.181
Reaxy-Rn	18321118
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18321118&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	308.180 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	308.191 Da
Monoisotopic Mass	308.191 Da
Topological Polar Surface Area	62.600 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	423.000
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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