4-(Boc-amino)phenylboronic Acid - CAS 380430-49-9
Catalog: |
BB023507 |
Product Name: |
4-(Boc-amino)phenylboronic Acid |
CAS: |
380430-49-9 |
Synonyms: |
[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]boronic acid; [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
IUPAC Name: | [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
Description: | Boronic acid used in a study of the rhodium-catalyzed desymmetrization of a meso-cyclic allylic dicarbonate via SN2' substitution. |
Molecular Weight: | 237.06 |
Molecular Formula: | C11H16NO4B |
Canonical SMILES: | B(C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14) |
InChI Key: | UBVOLHQIEQVXGM-UHFFFAOYSA-N |
Melting Point: | 199-204 °C (dec.) (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.18 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02093054 |
LogP: | 0.78640 |
GHS Hazard Statement: | H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112480116-A | PKB inhibitors | 20190911 |
WO-2021013693-A1 | Antibody drug conjugates (adcs) with nampt inhibitors | 20190723 |
WO-2020186632-A1 | Benzidine compound and application thereof | 20190318 |
CN-109879784-B | Biphenylamine compound and application thereof | 20190318 |
US-2020290969-A1 | Fused piperidinyl bicyclic and related compounds as modulators of c5a receptor | 20190311 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.1172382 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.1172382 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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