4-Formyl-3-hydroxybenzonitrile

Base Information

• Chemical Name: 4-Formyl-3-hydroxybenzonitrile
• CAS No.: 84102-89-6
• Molecular Formula: C8H5 N O2
• Molecular Weight: 147.133
• Hs Code.: 2926909090
• European Community (EC) Number: 889-026-9
• DSSTox Substance ID: DTXSID30510521
• Wikidata: Q72479274
• Mol file: 84102-89-6.mol

Synonyms:4-Formyl-3-hydroxybenzonitrile;84102-89-6;Benzonitrile, 4-formyl-3-hydroxy-;4-Cyano-2-hydroxybenzaldehyde;4-formyl-3-hydroxy-Benzonitrile;MFCD08361770;5-Cyano-2-formylphenol;SCHEMBL2466088;DTXSID30510521;DZETWSGVBUVPMH-UHFFFAOYSA-N;AMY41609;AKOS006291614;MB06108;AC-22663;SY025920;BB 0261347;CS-0130355;FT-0703223;EN300-746373;Q-101066;Z1198177235

Chemical Property of 4-Formyl-3-hydroxybenzonitrile

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Boiling Point: 288.7ºC at 760 mmHg
• Flash Point: 128.4ºC
• PSA: 61.09000
• Density: 1.32 g/cm³
• LogP: 1.07638
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 147.032028402
• Heavy Atom Count: 11
• Complexity: 194

Purity/Quality:

98% ^*data from raw suppliers

4-Formyl-3-hydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C#N)O)C=O

Technology Process of 4-Formyl-3-hydroxybenzonitrile

There total 9 articles about 4-Formyl-3-hydroxybenzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 63.0%

3-Acetoxy-4-(dibrommethyl)benzonitril (84102-88-5) → 4-formyl-3-hydroxybenzonitrile (84102-89-6)

Guidance literature:

With sodium hydroxide; In methanol; for 0.333333h; Heating;

Reference yield: 61.0%

4-formyl-3-methoxy-benzonitrile (21962-45-8) → 4-formyl-3-hydroxybenzonitrile (84102-89-6)

Guidance literature:

4-formyl-3-methoxy-benzonitrile; With boron tribromide; In dichloromethane; at -78 - 20 ℃; Inert atmosphere;

With sodium hydrogencarbonate; In dichloromethane;

Reference yield:

3-fluoro-4-formylbenzonitrile (105942-10-7) → 4-formyl-3-hydroxybenzonitrile (84102-89-6)

Guidance literature:

With potassium carbonate; In N-methyl-acetamide; water;

upstream raw materials:

3-Acetoxy-4-(dibrommethyl)benzonitril

3-hydroxy-4-methylbenzonitrile

5-cyano-2-methylphenyl acetate

3-fluoro-4-formylbenzonitrile

Downstream raw materials:

6-Cyan-N-(4-cyanphenyl)-1-benzofuran-2-carboxamid

6-Amidino-N-(4-amidinophenyl)-1-benzofuran-2-carboxamid-dihydrochlorid

2-<2-(6-Amidino-1-benzofuran-2-yl)-(E)-vinyl>-1-benzofuran-5-carboxamidin-dihydrochlorid

2-<2-(6-Amidino-1-benzofuran-2-yl)ethyl>-1-benzofuran-5-carboxamidin-dihydrochlorid

Refernces

• 1、 -. "SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF". Paragraph 0328-0331. . Retrieved 2016/10/17.
• 2、 -. "SUBSTITUTED-4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF". . . Retrieved 2010/06/16.