(3-Phenylpropyl)boronic Acid Pinacol Ester - CAS 329685-40-7
Catalog: |
BB021499 |
Product Name: |
(3-Phenylpropyl)boronic Acid Pinacol Ester |
CAS: |
329685-40-7 |
Synonyms: |
4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane |
Description: | (3-Phenylpropyl)boronic Acid Pinacol Ester (CAS# 329685-40-7) is a useful research chemical. |
Molecular Weight: | 246.15 |
Molecular Formula: | C15H23O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CCCC2=CC=CC=C2 |
InChI: | InChI=1S/C15H23BO2/c1-14(2)15(3,4)18-16(17-14)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3 |
InChI Key: | HRZOKAQQKKQUME-UHFFFAOYSA-N |
MDL: | MFCD09953505 |
LogP: | 3.71140 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019535695-A | Method for producing triarylorganoborate | 20161109 |
JP-2020512274-A | Method for producing triaryl organoborate | 20161109 |
TW-201833122-A | Method for preparing triaryl organic borate | 20161109 |
US-2019276479-A1 | Process for the production of triaryl organoborates | 20161109 |
EP-3538534-B1 | Process for the manufacturing of triaryl-alkyl borates | 20161109 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.1791101 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.1791101 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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