2-Thiopheneboronic Acid Pinacol Ester - CAS 193978-23-3
Catalog: |
BB015026 |
Product Name: |
2-Thiopheneboronic Acid Pinacol Ester |
CAS: |
193978-23-3 |
Synonyms: |
4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane |
Description: | Thiophene-2-boronic Acid Pinacol Ester acts as a reagent in the synthesis of bis-amide derivatives as CSF1R inhibitors. |
Molecular Weight: | 210.10 |
Molecular Formula: | C10H15O2SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CS2 |
InChI: | InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-14-8/h5-7H,1-4H3 |
InChI Key: | FFZHICFAHSDFKZ-UHFFFAOYSA-N |
Boiling Point: | 286.547 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.075 g/cm3 |
Appearance: | Powder or crystals |
MDL: | MFCD05663878 |
LogP: | 2.04730 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22199981 | 20111201 | 2,2'-(3,3'-Dihexyl-2,2'-bithio-phene-5,5'-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0885811 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0885811 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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