ChemicalBook > CAS DataBase List > 3-hydroxy-5-Methylbenzonitrile
3-hydroxy-5-Methylbenzonitrile
- Product Name
- 3-hydroxy-5-Methylbenzonitrile
- CAS No.
- 95658-81-4
- Chemical Name
- 3-hydroxy-5-Methylbenzonitrile
- Synonyms
- 3-Cyano-5-methylphenol;3-hydroxy-5-Methylbenzonitrile;Benzonitrile, 3-hydroxy-5-methyl-
- CBNumber
- CB42609818
- Molecular Formula
- C8H7NO
- Formula Weight
- 133.15
- MOL File
- 95658-81-4.mol
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3-hydroxy-5-Methylbenzonitrile Property
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Yellow to brown Solid
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Safety
- HS Code
- 2926907090
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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N-Bromosuccinimide Price
TRC
- Product number
- H948763
- Product name
- 3-hydroxy-5-methylbenzonitrile
- Packaging
- 10mg
- Price
- $45
- Updated
- 2021/12/16
TRC
- Product number
- H948763
- Product name
- 3-hydroxy-5-methylbenzonitrile
- Packaging
- 100mg
- Price
- $220
- Updated
- 2021/12/16
American Custom Chemicals Corporation
- Product number
- CHM0389195
- Product name
- 3-HYDROXY-5-METHYLBENZONITRILE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $503.54
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 114198
- Product name
- 3-Hydroxy-5-methylbenzonitrile
- Purity
- 97%
- Packaging
- 1g
- Price
- $529
- Updated
- 2021/12/16
AK Scientific
- Product number
- Z5409
- Product name
- 3-Hydroxy-5-methylbenzonitrile
- Packaging
- 5g
- Price
- $877
- Updated
- 2021/12/16
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3-hydroxy-5-Methylbenzonitrile Chemical Properties,Usage,Production
Synthesis
473923-98-7
95658-81-4
In a 100 mL round-bottomed flask, 3-methoxy-5-methylbenzonitrile (500 mg, 3.39 mmol) was dissolved in 15 mL of anhydrous dichloromethane (DCM), followed by the addition of tetrabutylammonium iodide (1.38 g, 3.73 mmol, 3.5 equiv). The reaction system was cooled to -78 °C. Boron tribromide (1 M solution of DCM, 11.87 mL, 33.16 mmol) was added slowly and dropwise at low temperature. The reaction mixture was stirred at -78 °C and then gradually warmed to room temperature and stirred overnight. Upon completion of the reaction, the reaction was quenched with ice water and neutralized with saturated sodium bicarbonate (NaHCO3) solution. The reaction mixture was extracted with dichloromethane (DCM). The organic layers were combined, concentrated and purified by silica gel column chromatography (eluent: 0-10% methanol/DCM) to give a light yellow solid product (408 mg, 90% yield). Liquid chromatography-mass spectrometry (LC-MS) analysis showed a molecular ion peak m/z 132.0 ([M-1]-). Nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 300 MHz, CDCl3) data were as follows: δ 7.20 (s, 1H), 6.96 (s, 1H), 6.91 (s, 1H), 2.37 (s, 3H).
References
[1] Patent: WO2009/5674, 2009, A2. Location in patent: Page/Page column 423; 424
[2] Patent: WO2004/63156, 2004, A1. Location in patent: Page 31
3-hydroxy-5-Methylbenzonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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