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4-Iodophenylboronic acid MIDA ester(contains varying amounts of Anhydride) - 97%, high purity , CAS No.1257649-56-1

    Grade & Purity:
  • ≥97%
In stock
Item Number
I166749
Grouped product items
SKU Size
Availability
Price Qty
I166749-1g
1g
3
$69.90
I166749-5g
5g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$259.90

Basic Description

Synonyms 2-(4-Iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione | 1257649-56-1 | 4-Iodophenylboronic acid MIDA ester | 1287221-36-6 | DTXSID20746271 | MFCD11215234 | AKOS022168234 | AS-2788 | 4-Iodophenylboronic acid MIDA ester, 97% | CS-0443792 | A910538
Specifications & Purity ≥97%
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Product Application:

Suzuki Cross-Coupling with MIDA Boronates
4-Iodophenylboronic acid MIDA ester can be used:
As a starting material to prepare rod-like hydrogen-bonded organic frameworks through Stille-coupling using 2,5-bis(trimethyltin)heterocycle, Pd(PPh3)4, and CuI.
As a substrate in the C-H arylation reaction of pyroglutamic acid derivatives with aryl and heteroaryl iodides; catalyzed by the palladium catalyst.
As a substrate in the synthesis of trifluoroborates, which are further converted to protected boronic acids.
As a starting material in the synthesis of amino acid MIDA boronates as new building blocks by reacting with protected iodoalanine.

Taxonomic Classification

Taxonomy Tree

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 Iodobenzenes  Dicarboxylic acids and derivatives  Aryl iodides  Trialkylamines  Carboxylic acid salts  Boronic acid derivatives  Oxacyclic compounds  Organic metalloid salts  Azacyclic compounds  Organopnictogen compounds  Organoiodides  Organoboron compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Alpha-amino acid or derivatives - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Boronic acid derivative - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organoboron compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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

Names and Identifiers

IUPAC Name 2-(4-iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
INCHI InChI=1S/C11H11BINO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
InChIKey KIKNJEGAWBNFLW-UHFFFAOYSA-N
Smiles B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)I
Isomeric SMILES B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)I
WGK Germany 3
PubChem CID 71310644
Molecular Weight 358.92

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

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

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number Certificate Type Date Item
K2330348 Certificate of Analysis Nov 21, 2023 I166749
K2330349 Certificate of Analysis Nov 21, 2023 I166749

Chemical and Physical Properties

Melt Point(°C) 213-217 °C
Molecular Weight 358.930 g/mol
XLogP3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 358.983 Da
Monoisotopic Mass 358.983 Da
Topological Polar Surface Area 55.800 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 313.000
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

Solution Calculators

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