4-Carbomethoxy-1-cyclohexeneboronic Acid Pinacol Ester - CAS 151075-20-6
Catalog: |
BB010607 |
Product Name: |
4-Carbomethoxy-1-cyclohexeneboronic Acid Pinacol Ester |
CAS: |
151075-20-6 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclohex-3-enecarboxylic acid methyl ester; methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate |
IUPAC Name: | methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate |
Description: | 4-Carbomethoxy-1-cyclohexeneboronic Acid Pinacol Ester (CAS# 151075-20-6) is a useful research chemical. |
Molecular Weight: | 266.14 |
Molecular Formula: | C14H23O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(=O)OC |
InChI: | InChI=1S/C14H23BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h8,10H,6-7,9H2,1-5H3 |
InChI Key: | SXBXVZNWDYRGPR-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
LogP: | 2.51730 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20200105631-A | Heteroaryl comprising N derivatives and pharmaceutical composition containing the same as an active ingredient | 20190228 |
WO-2020175968-A1 | N-containing heteroaryl derivative and pharmaceutical composition comprising same as active ingredient | 20190228 |
BR-112020012635-A2 | aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
CN-112020500-A | Aminopyridine derivatives as inhibitors of phosphatidylinositol phosphokinase | 20171222 |
US-2021317136-A1 | Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.1689394 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.1689394 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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