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| | 4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile Basic information | | Uses |
| Product Name: | 4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile | | Synonyms: | 4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile;2-bromo-5-(4-cyanophenoxy)benzyl alcohol;2-Bromo-5-(4-cyanophenoxyl)benzyl alcohol;Crisaborole Intermediate 1;Benzonitrile, 4-[4-bromo-3-(hydroxymethyl)phenoxy]-;Crisaborole-003;Crisaborole Impurity 31;4-[4-Bromo-3-(hydroxymethyl)phenoxy]benzonitrileQ: What is
4-[4-Bromo-3-(hydroxymethyl)phenoxy]benzonitrile Q: What is the CAS Number of
4-[4-Bromo-3-(hydroxymethyl)phenoxy]benzonitrile Q: What is the storage condition of
4-[4-Bromo-3-(hydroxymethyl)phenoxy]benzonitrile | | CAS: | 906673-45-8 | | MF: | C14H10BrNO2 | | MW: | 304.14 | | EINECS: | | | Product Categories: | | | Mol File: | 906673-45-8.mol |  |
| | 4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile Chemical Properties |
| Boiling point | 447.6±45.0 °C(Predicted) | | density | 1.57±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 13.96±0.10(Predicted) | | Appearance | Light yellow to yellow Solid | | InChI | InChI=1S/C14H10BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,17H,9H2 | | InChIKey | DAMOSKSUIVLOJT-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC=C(OC2=CC=C(Br)C(CO)=C2)C=C1 |
| | 4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile Usage And Synthesis |
| Uses | 4-(4-Bromo-3-(hydroxymethyl)phenoxy)benzonitrile is a useful research chemical. | | Chemical Properties | Class white powder | | Synthesis | The general procedure for the synthesis of 4-(4-bromo-3-(hydroxymethyl)phenoxy)benzonitrile from 4-(4-bromo-3-formylphenoxy)benzonitrile was as follows: 100 g of 4-(4-bromo-3-formylphenoxy)benzonitrile (VI) was dissolved in 500 mL of methanol at 25-30 °C, and subsequently cooled to 10-15 °C. While maintaining 10-15 °C, 6.2 g of sodium borohydride was slowly added for 60-90 min. After the addition was completed, the temperature of the reaction system was slowly increased to 15-20°C. Upon completion of the reaction, 1000 mL of water was added to the reaction mixture and stirred at 25-30 °C for 1 hour. The resulting solid product was collected by vacuum filtration, washed with water and dried under vacuum at not more than 55 °C to obtain 4-(4-bromo-3-(hydroxymethyl)phenoxy)benzonitrile (V). Yield: 99.0%; purity: 99.02%. | | References | [1] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 8, p. 2129 - 2132
[2] Patent: WO2018/207216, 2018, A1. Location in patent: Page/Page column 10
[3] Patent: CN108659024, 2018, A. Location in patent: Paragraph 0038-0039
[4] Patent: WO2018/115362, 2018, A1. Location in patent: Paragraph 0121
[5] Patent: US2007/293457, 2007, A1. Location in patent: Page/Page column 39-40 |
| | 4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile Preparation Products And Raw materials |
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