3-TERT-BUTYL-4-HYDROXYBENZONITRILE

Product Name: 3-TERT-BUTYL-4-HYDROXYBENZONITRILE
CAS No.: 4910-04-7
Chemical Name: 3-TERT-BUTYL-4-HYDROXYBENZONITRILE
Synonyms: 2-tert-Butyl-4-cyanophenol;3-TERT-BUTYL-4-HYDROXYBENZONITRILE;3-(1,1-Dimethylethyl)-4-hydroxybenzonitrile;Benzonitrile, 3-(1,1-dimethylethyl)-4-hydroxy-
CBNumber: CB12603345
Molecular Formula: C11H13NO
Formula Weight: 175.23
MOL File: 4910-04-7.mol

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3-TERT-BUTYL-4-HYDROXYBENZONITRILE Property

Boiling point:: 293.5±28.0 °C(Predicted)
Density: 1.07±0.1 g/cm3(Predicted)
storage temp.: 2-8°C
pka: 9.21±0.18(Predicted)
Appearance: Light brown 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

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P273Avoid release to the environment.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: B810110
Product name: 3-(tert-Butyl)-4-hydroxybenzonitrile
Packaging: 500mg
Price: $175
Updated: 2021/12/16

AK Scientific

Product number: Z4791
Product name: 3-(tert-Butyl)-4-hydroxybenzonitrile
Packaging: 1g
Price: $188
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0389506
Product name: 3-(TERT-BUTYL)-4-HYDROXYBENZONITRILE
Purity: 95.00%
Packaging: 5MG
Price: $496.65
Updated: 2021/12/16

AK Scientific

Product number: Z4791
Product name: 3-(tert-Butyl)-4-hydroxybenzonitrile
Packaging: 10g
Price: $721
Updated: 2021/12/16

Chemenu

Product number: CM117285
Product name: 3-(tert-Butyl)-4-hydroxybenzonitrile
Purity: 98%
Packaging: 25g
Price: $991
Updated: 2021/12/16

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3-TERT-BUTYL-4-HYDROXYBENZONITRILE Chemical Properties,Usage,Production

Synthesis

65678-11-7

4910-04-7

The general procedure for the synthesis of 3-(tert-butyl)-4-hydroxybenzonitrile from 3-(tert-butyl)-4-hydroxybenzaldehyde is as follows: with reference to the synthesis of intermediate R10 3-(1,1-dimethylethyl)-4-hydroxybenzenecarbonitrile [1399], 3-(1,1-dimethylethyl)-4-hydroxybenzaldehyde (550 mg with reference to intermediate R9) was mixed with hydroxylamine hydrochloride (322 mg , 4.63 mmol) in 8.0 mL of acetic acid under reflux conditions for 1 hour. Upon completion of the reaction, the mixture was cooled to 0 °C and subsequently poured into ether (Et2O). The mixture was washed sequentially with water and 5% aqueous sodium hydroxide solution each. The aqueous phase was extracted twice with ether (Et2O), all organic phases were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and the solvent evaporated. The residue was ground with pentane to give 540 mg of 3-tert-butyl-4-hydroxybenzonitrile. The product was characterized by 1H-NMR (400 MHz, DMSO-d6): δ 10.92 (1H, broad single peak), 7.53-7.45 (2H, multiple peaks), 6.92 (1H, double peaks), 1.34 (9H, single peak); UPLC_ipqc analysis: retention time 1.03 min, mass spectrometry detected [M-H]-peak m/z 174.

References

[1] Patent: WO2011/69951, 2011, A1. Location in patent: Page/Page column 82-83
[2] Patent: WO2012/76877, 2012, A1. Location in patent: Page/Page column 226-227
[3] Patent: US2013/267510, 2013, A1. Location in patent: Paragraph 1399-1401

3-TERT-BUTYL-4-HYDROXYBENZONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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3-TERT-BUTYL-4-HYDROXYBENZONITRILE Suppliers

China 24 India 1 United Kingdom 1 United States 4 Global 30

Santai Labs, Inc.

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Shanghai Kaiwei Chemical Technology Co., Ltd.

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4910-04-7, 3-TERT-BUTYL-4-HYDROXYBENZONITRILERelated Search:

3-TERT-BUTYL-4-HYDROXYBENZOIC ACID 3-TERT-BUTYL-2-HYDROXYBENZALDEHYDE 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid

3-TERT-BUTYL-4-HYDROXYBENZONITRILE

2-tert-Butyl-4-cyanophenol

Benzonitrile, 3-(1,1-dimethylethyl)-4-hydroxy-

3-(1,1-Dimethylethyl)-4-hydroxybenzonitrile

4910-04-7