3-Amino-4-chlorophenylboronic Acid Pinacol Ester - CAS 850567-56-5
Catalog: |
BB037431 |
Product Name: |
3-Amino-4-chlorophenylboronic Acid Pinacol Ester |
CAS: |
850567-56-5 |
Synonyms: |
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 3-Amino-4-chlorophenylboronic Acid Pinacol Ester (CAS# 850567-56-5) is a useful research chemical. |
Molecular Weight: | 253.53 |
Molecular Formula: | C12H17ClNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)N |
InChI: | InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,15H2,1-4H3 |
InChI Key: | KHGJUVPQSMKNFA-UHFFFAOYSA-N |
Boiling Point: | 361.5 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD06659926 |
LogP: | 2.80260 |
GHS Hazard Statement: | H302 (100%): 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 |
WO-2020215037-A1 | Combination with checkpoint inhibitors to treat cancer | 20190418 |
US-2021179541-A1 | Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient | 20171201 |
CN-107383076-A | A kind of synthetic method of the chlorophenylboronic acid pinacol ester of 3 amino 4 | 20170629 |
US-2018037570-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
US-10947214-B2 | TLR7/8 antagonists and uses thereof | 20160808 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.1040866 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.1040866 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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