B- [(1E) - 2- (3- Thienyl) ethenyl] boronic Acid - CAS 1155956-91-4
Catalog: |
BB057070 |
Product Name: |
B- [(1E) - 2- (3- Thienyl) ethenyl] boronic Acid |
CAS: |
1155956-91-4 |
Synonyms: |
Boronic acid, B-[(1E)-2-(3-thienyl)ethenyl]-; [(E)-2-thiophen-3-ylethenyl]boronic acid; 2-(3-Thienyl)ethenylboronic acid; [2-(thiophen-3-yl)ethenyl]boronic acid; (E)-(2-(Thiophen-3-yl)vinyl)boronicacid; (E)-(2-(Thiophen-3-yl)vinyl)boronic acid; [(E)-2-(thiophen-3-yl)ethenyl]boronic acid |
IUPAC Name: | [(E)-2-thiophen-3-ylethenyl]boronic acid |
Description: | B- [(1E) - 2- (3- Thienyl) ethenyl] boronic Acid is used in the stereodivergent synthesis of α- Aminomethyl Cinnamyl Ethers via photoredox- catalyzed radical relay reaction |
Molecular Weight: | 153.99 |
Molecular Formula: | C6H7BO2S |
Canonical SMILES: | B(C=CC1=CSC=C1)(O)O |
InChI: | InChI=1S/C6H7BO2S/c8-7(9)3-1-6-2-4-10-5-6/h1-5,8-9H/b3-1+ |
InChI Key: | CKXUKVGKEZTFOR-HNQUOIGGSA-N |
References: | An, X., et al. Chinese J Chem., 36, 1147-1150 (2018). |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 154.0259808 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0259808 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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