4-(4-Bromo-3-formyl-phenoxy)-benzonitrile

Product Name: 4-(4-Bromo-3-formyl-phenoxy)-benzonitrile
CAS No.: 906673-54-9
Chemical Name: 4-(4-Bromo-3-formyl-phenoxy)-benzonitrile
Synonyms: Crisaborole-004;Crisaborole Intermediate 2;Benzonitrile, 4-(4-bromo-3-formylphenoxy);4-(4-Bromo-3-formyl-phenoxy)-benzonitrile;4-(4-Bromo-3-formyl-phenoxChemicalbooky)-benzonitrile
CBNumber: CB13040569
Molecular Formula: C14H8BrNO2
Formula Weight: 302.12
MOL File: 906673-54-9.mol

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4-(4-Bromo-3-formyl-phenoxy)-benzonitrile Property

Melting point:: 109-111°C
Boiling point:: 441.9±35.0 °C(Predicted)
Density: 1.56±0.1 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: White to Light Yellow
InChI: InChI=1S/C14H8BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,9H
InChIKey: IEHZPKWXBVTRRG-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(OC2=CC=C(Br)C(C=O)=C2)C=C1

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

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: B700800
Product name: 4-(4-Bromo-3-formylphenoxy)benzonitrile
Packaging: 500mg
Price: $100
Updated: 2021/12/16

AK Scientific

Product number: 6344EF
Product name: 4-(4-Bromo-3-formylphenoxy)benzonitrile
Packaging: 5g
Price: $178
Updated: 2021/12/16

Chemenu

Product number: CM255695
Product name: 4-(4-Bromo-3-formylphenoxy)benzonitrile
Purity: 95%
Packaging: 10g
Price: $224
Updated: 2021/12/16

Alichem

Product number: 906673549
Product name: 4-(4-Bromo-3-formylphenoxy)benzonitrile
Packaging: 10g
Price: $235.2
Updated: 2021/12/16

Crysdot

Product number: CD12009919
Product name: 4-(4-Bromo-3-formylphenoxy)benzonitrile
Purity: 95+%
Packaging: 10g
Price: $238
Updated: 2021/12/16

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4-(4-Bromo-3-formyl-phenoxy)-benzonitrile Chemical Properties,Usage,Production

Uses

4-(4-Bromo-3-formyl-phenoxy)-benzonitrile can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Synthesis

1194-02-1

2973-80-0

906673-54-9

Under nitrogen protection, 2-bromo-5-hydroxybenzaldehyde (100 g, 497 mmol) and 4-fluorobenzonitrile (301.2 g, 2487 mmol) were dissolved in a mixed solvent of N,N-dimethylformamide (DMF, 250 mL) and toluene (500 mL). Potassium carbonate (206.2 g, 1492 mmol) was added to this dark solution and the reaction mixture was stirred at 115 °C for 8 hours. Upon completion of the reaction, the reaction endpoint was confirmed by thin layer chromatography (TLC) monitoring. Insoluble material was removed by filtration followed by removal of solvent and excess 4-fluorobenzonitrile by distillation under reduced pressure. Ethyl acetate (800 mL), water (500 mL) and brine (40 mL) were added to the residue and phase separation was carried out at 65-70 °C. The aqueous phase was extracted with ethyl acetate (150 mL) at the same temperature and the combined organic phases were washed sequentially with mixed water (225 mL) and brine (180 mL) at 65-70 °C. The organic phase was concentrated under reduced pressure to give a brown solid product. The solid was purified by twice recrystallization in a mixture of hot ethyl acetate and toluene solvents to give 4-(4-bromo-3-formylphenoxy) benzyl cyanide (Compound A) (107.5 g) in 71% yield. High performance liquid chromatography (HPLC) analysis showed purity greater than 99%. Nuclear magnetic resonance hydrogen spectrum (1H-NMR, 200 MHz, CDCl3, δ ppm): 10.32 (1H, s); 7.62-7.72 (3H, m); 7.57-7.59 (1H, dd; J = 3 Hz, J = 1 Hz); 7.18-7.23 (1H, dd, J = 8 Hz, J = 3 Hz), 7.01-7.08 ( 2H, m). Nuclear magnetic resonance carbon spectrum (13C-NMR, 50 MHz, CDCl3, δ ppm): 190.69; 160.08; 155.13; 135.59; 134.89; 134.39; 126.86; 121.81; 120.28; 118.68; 118.33; 107.32. differential scanning calorimetry (DSC) Showed a heat absorption peak at 11.19°C.

References

[1] Patent: WO2018/115362, 2018, A1. Location in patent: Paragraph 0120
[2] Patent: US2007/72833, 2007, A1. Location in patent: Page/Page column 20
[3] Patent: WO2018/224923, 2018, A1. Location in patent: Paragraph 0167; 0181

4-(4-Bromo-3-formyl-phenoxy)-benzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(4-Bromo-3-formyl-phenoxy)-benzonitrile Suppliers

China 201 India 12 United States 4 Global 217

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View Lastest Price from 4-(4-Bromo-3-formyl-phenoxy)-benzonitrile manufacturers

Henan Aochuang Chemical Co.,Ltd.

Product: 4-(4-Bromo-3-formyl-phenoxy)-benzonitrile 906673-54-9
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1ton
Release date: 2022-09-16

Shaanxi Dideu New Materials Co. Ltd

Product: 4-(4-Bromo-3-formyl-phenoxy)-benzonitrile 906673-54-9
Price: US $0.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 10000KGS
Release date: 2025-02-22

Career Henan Chemical Co

Product: 4-(4-Bromo-3-formyl-phenoxy)-benzonitrile 906673-54-9
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 1ton
Release date: 2018-08-06

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4-(4-Bromo-3-formyl-phenoxy)-benzonitrile

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906673-54-9