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1-Boc-6-methoxyindole-3-boronic acid pinacol ester - ≥95%, high purity , CAS No.1256360-00-5

COA

Grade & Purity:

≥95%

Cas Number: 1256360-00-5
Molecular Weight: 373.26
PubChem CID: 53217219

In stock

Item Number

B733276

Grouped product items
SKU	Size	Availability	Price
B733276-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$294.90
B733276-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$500.90
B733276-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,300.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids
Alternative Parents	Indoles Pyrrole carboxylic acids and derivatives Anisoles Alkyl aryl ethers Substituted pyrroles Boronic acid esters Dioxaborolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic metalloid salts Organometalloid compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid - Indole - Anisole - Phenol ether - Pyrrole-1-carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Pyrrole - Boronic acid derivative - Ether - Oxacycle - Azacycle - Organic metalloid salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
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	tert-butyl 6-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
INCHI	InChI=1S/C20H28BNO5/c1-18(2,3)25-17(23)22-12-15(14-10-9-13(24-8)11-16(14)22)21-26-19(4,5)20(6,7)27-21/h9-12H,1-8H3
InChIKey	NEVYMHCTIQBRQU-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC(=C3)OC)C(=O)OC(C)(C)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC(=C3)OC)C(=O)OC(C)(C)C
PubChem CID	53217219
Molecular Weight	373.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	373.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	373.206 Da
Monoisotopic Mass	373.206 Da
Topological Polar Surface Area	58.900 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	557.000
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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