≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | B(C1=CC2=C(C=C1)OCCN2C(=O)OC(C)(C)C)(O)O |
|---|---|
| IUPAC Name | [4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-6-yl]boronic acid |
| InChIKey | TWQCRBQJOUVYBQ-UHFFFAOYSA-N |
| INCHI | 1S/C13H18BNO5/c1-13(2,3)20-12(16)15-6-7-19-11-5-4-9(14(17)18)8-10(11)15/h4-5,8,17-18H,6-7H2,1-3H3 |
| Isomeric SMILES | B(C1=CC2=C(C=C1)OCCN2C(=O)OC(C)(C)C)(O)O |
| PubChem CID | 56776697 |
| Molecular Weight | 279.1 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazines |
| Alternative Parents | Benzomorpholines Alkyl aryl ethers Benzenoids Carbamate esters Tertiary amines Boronic acids Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzomorpholine - Benzoxazine - Alkyl aryl ether - Oxazinane - Benzenoid - Carbamic acid ester - Boronic acid derivative - Boronic acid - Tertiary amine - Oxacycle - Ether - Azacycle - Organic metalloid salt - Organic metalloid moeity - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). |
| External Descriptors | Not available |
| Molecular Weight | 279.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 279.128 Da |
| Monoisotopic Mass | 279.128 Da |
| Topological Polar Surface Area | 79.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 357.000 |
| 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 |
![(4-(tert-Butoxycarbonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)boronic acid - ≥97% , CAS No.2096340-12-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)