4-(2-Ethoxy-2-oxoethyl)-1-cyclohexene-1-boronic Acid Pinacol Ester - CAS 1166829-70-4
Catalog: |
BB003798 |
Product Name: |
4-(2-Ethoxy-2-oxoethyl)-1-cyclohexene-1-boronic Acid Pinacol Ester |
CAS: |
1166829-70-4 |
Synonyms: |
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclohex-3-enyl]acetic acid ethyl ester; ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate |
IUPAC Name: | ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate |
Description: | 4-(2-Ethoxy-2-oxoethyl)-1-cyclohexene-1-boronic Acid Pinacol Ester (CAS# 1166829-70-4) is a useful research chemical. |
Molecular Weight: | 294.19 |
Molecular Formula: | C16H27O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)CC(=O)OCC |
InChI: | InChI=1S/C16H27BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h9,12H,6-8,10-11H2,1-5H3 |
InChI Key: | QIAHVZXOVXLJRI-UHFFFAOYSA-N |
LogP: | 3.29750 |
Publication Number | Title | Priority Date |
WO-2021160127-A1 | Heterocyclic glp-1 agonists | 20200213 |
WO-2020233676-A1 | Amide-substituted imidazo compounds as selective inhibitors of indoleamine 2, 3-dioxygenases | 20190522 |
WO-2020233677-A1 | Process for preparing amide-substituted imidazo compounds | 20190522 |
CN-112105605-A | Substituted cyclohexyl compounds as NOP inhibitors | 20180228 |
KR-20200140810-A | Substituted cyclohexyl compounds as NOP inhibitors | 20180228 |
Complexity: | 412 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.2002395 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.2002395 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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