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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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I166749-1g
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1g |
3
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$69.90
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I166749-5g
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5g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
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$259.90
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| 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 |
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 |
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| 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 |
| 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 |