(E)-3-Methoxy-1-propenylboronic Acid Pinacol Ester - CAS 165059-42-7
Catalog: |
BB012165 |
Product Name: |
(E)-3-Methoxy-1-propenylboronic Acid Pinacol Ester |
CAS: |
165059-42-7 |
Synonyms: |
2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | (E)-3-Methoxy-1-propenylboronic Acid Pinacol Ester (CAS# 165059-42-7) is a useful research chemical. |
Molecular Weight: | 198.07 |
Molecular Formula: | C10H19O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C=CCOC |
InChI: | InChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-7H,8H2,1-5H3/b7-6+ |
InChI Key: | FBAOFKFCKHJXRU-VOTSOKGWSA-N |
Boiling Point: | 229-230 °C (lit.) |
Flash Point: | 214.0 °F - closed cup |
Purity: | 95 % |
Density: | 0.933 g/mL at 25 °C (lit.) |
MDL: | MFCD05664297 |
LogP: | 1.82040 |
Refractive Index: | n20/D 1.4430 (lit.) |
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 |
WO-2021127499-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20191218 |
WO-2021083380-A1 | Eed inhibitor, and preparation method therefor and use thereof | 20191101 |
US-10954202-B2 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
US-2021009542-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
CN-112955438-A | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
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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