3-Hydroxy-4-methoxybenzonitrile

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CAS:52805-46-6
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3-Hydroxy-4-methoxybenzonitrile manufacturers

3-Hydroxy-4-methoxybenzonitrile Basic information
Product Name:3-Hydroxy-4-methoxybenzonitrile
Synonyms:ISOVANILLONITRILE;CBI-BB ZERO/005397;Benzonitrile, 3-hydroxy-4-Methoxy-;3-HYDROXY-4-METHOXYBENZONITRILE;3-HYDROXY-4-METHOXYBENZONITRILE (ISOVANILLONITRILE);3-Hydroxy-4-methoxybenzonitril;5-Cyano-2-methoxyphenol;Gefitinib IMpurity (3-Hydroxy-4-Methoxybenzonitrile)
CAS:52805-46-6
MF:C8H7NO2
MW:149.15
EINECS:
Product Categories:Gefitinib;Aromatic Nitriles;bc0001
Mol File:52805-46-6.mol
3-Hydroxy-4-methoxybenzonitrile Structure
3-Hydroxy-4-methoxybenzonitrile Chemical Properties
Melting point 124 °C
Boiling point 300.8±27.0 °C(Predicted)
density 1.24±0.1 g/cm3(Predicted)
storage temp. Inert atmosphere,Room Temperature
pka8.59±0.10(Predicted)
AppearanceWhite to off-white Solid
CAS DataBase Reference52805-46-6(CAS DataBase Reference)
Safety Information
HS Code 29269090
MSDS Information
3-Hydroxy-4-methoxybenzonitrile Usage And Synthesis
Synthesis
Isovanillin

621-59-0

3-Hydroxy-4-methoxybenzonitrile

52805-46-6

The general procedure for synthesizing 3-hydroxy-4-methoxybenzonitrile from isovanillin was as follows: 14.2 g of isovanillin was dissolved in 75 mL of formic acid, 15 g of sodium formate was added, and stirred at 85 °C. Subsequently, 9 g of hydroxylamine hydrochloride was added in batches, and the reaction mixture was kept at 85 °C and continued to be stirred for 4 hours. Upon completion of the reaction, the mixture was poured into a nearly saturated sodium chloride solution and a precipitate was precipitated. The precipitate was separated by filtration, washed sequentially with water and petroleum ether, and dried to give the product. The yield was 14.2 g. The yield was 93% of the theoretical value. The product was analyzed by HPLC-MS (Method D) with a retention time (Rt) of 1.18 min.

References[1] Patent: WO2011/92128, 2011, A1. Location in patent: Page/Page column 37
[2] Patent: US2012/28939, 2012, A1. Location in patent: Page/Page column 18
[3] Patent: CN105330586, 2016, A. Location in patent: Paragraph 0055; 0056
[4] Patent: CN105461602, 2016, A. Location in patent: Paragraph 0049; 0050
[5] Molecules, 2017, vol. 22, # 10,
3-Hydroxy-4-methoxybenzonitrile Preparation Products And Raw materials
Raw materialsIsovanillin-->Sodium formate
Preparation Products3-(3-morpholinylpropoxy)-4-methoxybenzonitrile-->4-Hydroxy-3-methoxybenzonitrile-->3-Hydroxy-4-methoxy benzylamine
Tag:3-Hydroxy-4-methoxybenzonitrile(52805-46-6) Related Product Information
3-(METHOXYMETHOXY)BENZALDEHYDE 2-Cyanophenol Anisole CHLOROPHOSPHONAZO III o-Anisaldehyde p-Anisaldehyde (Trifluoromethoxy)benzene Benzonitrile 4-Cyanophenol 4-Methoxyphenylacetic acid 4-(3-Chloropropyl)morpholine Gefitinib-d6 Gefitinib Impurity 11 Gefitinib Chloro Impurity 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one 2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile Gefitinib Impurity 8 O-Desmorpholinopropyl Gefitinib

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