(E)-1-Heptenylboronic Acid - CAS 57404-76-9
Catalog: |
BB029696 |
Product Name: |
(E)-1-Heptenylboronic Acid |
CAS: |
57404-76-9 |
Synonyms: |
[(E)-hept-1-enyl]boronic acid; [(E)-hept-1-enyl]boronic acid |
IUPAC Name: | [(E)-hept-1-enyl]boronic acid |
Description: | Reactant for: Suzuki-Miyaura alkenylation; Palladacycle-catalyzed asymmetric ring-opening reaction of oxabicyclic alkenes; Double Suzuki couplings; Rhodium-catalyzed asymmetric addition reactions. |
Molecular Weight: | 142.00 |
Molecular Formula: | C7H15O2B |
Canonical SMILES: | B(C=CCCCCC)(O)O |
InChI: | InChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+ |
InChI Key: | LDTJUGVTOZBIBN-VOTSOKGWSA-N |
Boiling Point: | 245.7 °C at 760 mmHg |
Melting Point: | 107-111 °C (lit.) |
Flash Point: | Not applicable |
Density: | 0.918 g/cm3 |
Appearance: | Grey solid |
MDL: | MFCD01074600 |
LogP: | 1.13490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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-2019147842-A1 | Liquid crystal composition containing a five-membered heterocyclic ring, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device | 20180124 |
CN-111902519-A | Liquid crystal composition comprising five-membered heterocyclic ring, reverse mode polymer dispersed liquid crystal element and related selectively dimmable device | 20180124 |
US-2020347302-A1 | Liquid crystal composition containing a five-membered heterocyclic ring, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device | 20180124 |
JP-2021512209-A | Liquid crystal compositions containing 5-membered heterocycles, reverse mode polymer dispersed liquid crystal devices, and related selective visualization devices. | 20180124 |
Complexity: | 91.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 142.1165099 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.1165099 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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