4-(HYDROXYMETHYL)BENZONITRILE

Base Information

• Chemical Name: 4-(HYDROXYMETHYL)BENZONITRILE
• CAS No.: 874-89-5
• Molecular Formula: C8H7NO
• Molecular Weight: 133.15
• Hs Code.: 29269090
• Mol file: 874-89-5.mol

Synonyms:p-Tolunitrile,a-hydroxy- (6CI,7CI,8CI);4-(Hydroxymethyl)benzonitrile;4-Cyanobenzyl alcohol;p-Cyanobenzyl alcohol;p-Hydroxymethylbenzonitrile;

Chemical Property of 4-(HYDROXYMETHYL)BENZONITRILE

Chemical Property:

• Vapor Pressure: 0.00061mmHg at 25°C
• Melting Point: 39-43 °C(lit.)
• Refractive Index: 1.572
• Boiling Point: 297.4 °C at 760 mmHg
• PKA: 13.99±0.10(Predicted)
• Flash Point: 133.6 °C
• PSA: 44.02000
• Density: 1.16 g/cm³
• LogP: 1.05058
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.

Purity/Quality:

99%, ^*data from raw suppliers

4-(Hydroxymethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Uses: 4-(Hydroxymethyl)benzonitrile [p-(hydroxymethyl)benzonitrile] may be used to synthesize p-((vinyloxy)methyl)benzonitrile (VOMBN).

Technology Process of 4-(HYDROXYMETHYL)BENZONITRILE

There total 81 articles about 4-(HYDROXYMETHYL)BENZONITRILE 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: 98.0%

zinc(II) cyanide (557-21-1) + 4-bromobenzenemethanol (873-75-6) → 4-Cyanobenzyl alcohol (874-89-5)

Guidance literature:

With [(2-di-tert-butylphosphino-2′,4′,6′-triisopropyl-1, 1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)] palladium(II) methanesulfonate; In tetrahydrofuran; water; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1021/ol5032359

Reference yield: 96.2%

4-cyanobenzyl chloride (874-86-2) → 4-Cyanobenzyl alcohol (874-89-5)

Guidance literature:

With potassium carbonate; In water; at 80 ℃; for 10h; Reagent/catalyst; Temperature;

Reference yield: 96.0%

4-(((tert-butyldimethylsilyl)oxy)methyl)benzonitrile → 4-Cyanobenzyl alcohol (874-89-5)

Guidance literature:

With hafnium tetrakis(trifluoromethanesulfonate); In methanol; at 20 ℃; for 9h;

DOI:10.1055/s-0037-1610307

upstream raw materials:

4-cyanobenzyl chloride

terephthalonitrile

methanol

1-Benzyl-1,4-dihydronicotinamide

Downstream raw materials:

4-(hydroxymethyl)-2-nitrobenzonitrile

3-hydroxymethyl-benzoic acid

4-cyanobenzaldehyde

4-(Cyclohepta-2,4,6-trienyloxymethyl)-benzonitrile

Refernces

• 1、 Pandey, Vipin K.,Tiwari, Chandra Shekhar,Rit, Arnab. "Silver-Catalyzed Hydroboration of C-X (X = C, O, N) Multiple Bonds". supporting information. p. 1681 - 1686. Retrieved 2021/03/03.
• 2、 -. "Five-membered heterocycle substituted biphenyl compound and preparation method and application thereof". Paragraph 0198; 0200-0201; 0204-0205. . Retrieved 2021/07/17.