4-(Boc-amino)-1-cyclohexene-1-boronic Acid Pinacol Ester - CAS 1251732-64-5
Catalog: |
BB006083 |
Product Name: |
4-(Boc-amino)-1-cyclohexene-1-boronic Acid Pinacol Ester |
CAS: |
1251732-64-5 |
Synonyms: |
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclohex-3-enyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate |
IUPAC Name: | tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate |
Description: | 4-(Boc-amino)-1-cyclohexene-1-boronic Acid Pinacol Ester (CAS# 1251732-64-5) is a useful research chemical. |
Molecular Weight: | 323.24 |
Molecular Formula: | C17H30NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8,13H,9-11H2,1-7H3,(H,19,20) |
InChI Key: | BQDDQHLYCAQNMX-UHFFFAOYSA-N |
MDL: | MFCD12032216 |
LogP: | 4.01230 |
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 |
CN-111217693-A | method for preparing a, β -unsaturated carboxylic acid by reacting alkenyl boron compound catalyzed by cuprous halide with carbon dioxide | 20200219 |
WO-2021099793-A1 | 1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors | 20191120 |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
US-2020071333-A1 | PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES | 20180813 |
US-2020079769-A1 | Thiadiazole irak4 compounds | 20180813 |
Complexity: | 477 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.2267886 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.2267886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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