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Product Name:4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
CAS:680596-79-6
Purity:97%(Min,HPLC) Package:100g;1kg;5kg,10kg,25kg,50kg
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| | 1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER Basic information | | Uses |
| Product Name: | 1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER | | Synonyms: | 1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER;1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-hydroxy-2,3-diMethylbutan-2-yl hydrogen 1,4-dioxaspiro[4.5]dec-7-en-8-ylboronate;2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene;2-(1,4-Dioxaspiro[4.5]dec-8-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid pinacol ester 0901;1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PICOL ESTER | | CAS: | 680596-79-6 | | MF: | C14H23BO4 | | MW: | 266.14 | | EINECS: | 689-678-2 | | Product Categories: | Organic boronic acid;blocks;BoronicAcids | | Mol File: | 680596-79-6.mol | ![1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER Structure](CAS/GIF/680596-79-6.gif) |
| | 1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER Chemical Properties |
| Melting point | 60-62°C | | Boiling point | 313.9±52.0 °C(Predicted) | | density | 1.08±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | powder to crystal | | color | White to Orange to Green | | InChI | InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5H,6-10H2,1-4H3 | | InChIKey | JCHWHOHZZYWUMP-UHFFFAOYSA-N | | SMILES | O1C2(CCC(B3OC(C)(C)C(C)(C)O3)=CC2)OCC1 |
| Hazard Codes | Xn | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36/37/39 | | WGK Germany | 3 | | HS Code | 2932990090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER Usage And Synthesis |
| Uses | 1,4-Dioxa-spiro[4,5]dec-7-ene-8-boronic acid pinacol ester is used as a pharmaceutical intermediate. | | Synthesis | 1,4-Dioxaspiro[4.5]dec-7-en-8-yl trifluoromethanesulfonate (500 mg, 1.73 mmol) and pinacol bis(boronic acid) ester (530 mg, 2.08 mmol) were used as the raw materials, and 1,4-dioxane (8 mL) was used as the solvent under nitrogen protection, and potassium acetate (260 mg, 2.64 mmol) and Pd(dppf) Cl2 (130 mg, 0.17 mmol). The reaction mixture was stirred at 110 °C for 10 hours. After completion of the reaction, the insoluble material was removed by filtration, and the filtrate was concentrated under reduced pressure and purified by column chromatography (eluent: petroleum ether/ethyl acetate, v/v=2/1) to afford 540 mg of the yellow oily product 1,4-dioxa-spiro[4,5]dec-7-ene-8-boronic acid pinacol ester in 99% yield. | | References | [1] Patent: CN106336413, 2017, A. Location in patent: Paragraph 0431; 0432; 0433
[2] Patent: US2010/56576, 2010, A1. Location in patent: Page/Page column 20
[3] Patent: US2008/300242, 2008, A1. Location in patent: Page/Page column 102
[4] Patent: WO2017/192811, 2017, A1. Location in patent: Paragraph 00173
[5] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 23, p. 5377 - 5380 |
| | 1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER Preparation Products And Raw materials |
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