4-Acetamidophenylboronic Acid - CAS 101251-09-6
Catalog: |
BB000474 |
Product Name: |
4-Acetamidophenylboronic Acid |
CAS: |
101251-09-6 |
Synonyms: |
(4-acetamidophenyl)boronic acid; (4-acetamidophenyl)boronic acid |
IUPAC Name: | (4-acetamidophenyl)boronic acid |
Description: | Reactant involved in: Synthesis of TpI2 kinase inhibitors; Biological evaluation of modulators of survival motor neuron protein; Cross-coupling with conjugated dienes or terminal alkenes or diazoesters; Synthesis of tetrabutylammonium trifluoroborates; Rhosium-catalyzed cyanation. |
Molecular Weight: | 178.98 |
Molecular Formula: | C8H10NO3B |
Canonical SMILES: | B(C1=CC=C(C=C1)NC(=O)C)(O)O |
InChI: | InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11) |
InChI Key: | VYEWTHXZHHATTA-UHFFFAOYSA-N |
Melting Point: | 215-220 ℃ (lit.) |
Flash Point: | Not applicable |
Density: | 1.23 g/cm3 |
MDL: | MFCD02179451 |
LogP: | -0.60220 |
GHS Hazard Statement: | H301 (11.11%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 20201216 |
CN-111393336-A | Sulfonamide compound, and metal-free catalysis construction method and application thereof | 20200309 |
US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 20200130 |
WO-2021155004-A1 | Strad-binding agents and uses thereof | 20200130 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
PMID | Publication Date | Title | Journal |
20809657 | 20101001 | Stereocontrolled photodimerization with congested 1,8-bis(4'-anilino)naphthalene templates | The Journal of organic chemistry |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0753733 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0753733 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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