(E)-(2-Ethoxyvinyl)boronic Acid Pinacol Ester - CAS 1201905-61-4
Catalog: |
BB004746 |
Product Name: |
(E)-(2-Ethoxyvinyl)boronic Acid Pinacol Ester |
CAS: |
1201905-61-4 |
Synonyms: |
2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | trans-2-Ethoxyvinylboronic acid pinacol ester is a boronic ester commonly used in Suzuki-Miyaura cross-coupling.This reaction is a key step to synthesize: Azaindole and diazaindoles from chloroamino-N-heterocycles; Doryanine and its derivatives from 2-bromobenzoic acid. |
Molecular Weight: | 198.07 |
Molecular Formula: | C10H19O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C=COCC |
InChI: | InChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3/b8-7+ |
InChI Key: | MRAYNLYCQPAZJN-BQYQJAHWSA-N |
Flash Point: | 188.1 °F |
Purity: | 95 % |
Density: | 0.935 g/mL at 25 °C |
Appearance: | Liquid |
Storage: | 2-8 °C |
MDL: | MFCD09998813 |
LogP: | 2.16800 |
Refractive Index: | n20/D 1.447 |
GHS Hazard Statement: | H227 (50%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2021203261-B1 | Novel dioxoloisoquinolinone derivatives and use thereof | 20200813 |
WO-2021211864-A1 | Fused tricyclic kras inhibitors | 20200416 |
WO-2021210586-A1 | Condensed heterocyclic compound | 20200414 |
WO-2021156787-A1 | Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors | 20200204 |
WO-2021087087-A1 | N-cyclohexyl-5-(thiazol-5-yl)-1h-indole-7-carboxamide derivatives and related compounds as cd38 inhibitors for increasing nad+ and for the treatment of e.g. muscular disorders | 20191030 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 198.1427246 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.1427246 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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