3-(Methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester - CAS 478375-39-2
Catalog: |
BB059398 |
Product Name: |
3-(Methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester |
CAS: |
478375-39-2 |
Synonyms: |
Methyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; 3-(METHOXYCARBONYL)-4-METHYLPHENYLBORONIC ACID, PINACOL ESTER; (3-(METHOXYCARBONYL)-4-METHYLPHENYL)BORONIC ACID PINACOL ESTER; 3-(Methoxycarbonyl)-4-methylphenylboronic acid pinacol ester |
IUPAC Name: | methyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 3-(Methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester |
Molecular Weight: | 276.14 |
Molecular Formula: | C15H21BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C)C(=O)OC |
InChI: | InChI=1S/C15H21BO4/c1-10-7-8-11(9-12(10)13(17)18-6)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3 |
InChI Key: | WBHBKJFHYGIUQU-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
14747225 | 20040201 | Efficacy of Ipomoea batatas (Caiapo) on diabetes control in type 2 diabetic subjects treated with diet | Diabetes care |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.1532893 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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