Benzonitrile, 4-(hydroxymethyl)-3-methyl- (9CI)

Base Information

• Chemical Name: Benzonitrile, 4-(hydroxymethyl)-3-methyl- (9CI)
• CAS No.: 227094-07-7
• Molecular Formula: C9H9 N O
• Molecular Weight: 147.177
• Hs Code.: 2926909090
• Mol file: 227094-07-7.mol

Synonyms:Benzonitrile, 4-(hydroxymethyl)-3-methyl- (9CI)

Chemical Property of Benzonitrile, 4-(hydroxymethyl)-3-methyl- (9CI)

Chemical Property:

• PSA: 44.02000
• LogP: 1.35898
• Storage Temp.: 2-8°C

Purity/Quality:

95% ^*data from raw suppliers

4-(hydroxymethyl)-3-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 4-(hydroxymethyl)-3-methyl- (9CI)

There total 6 articles about Benzonitrile, 4-(hydroxymethyl)-3-methyl- (9CI) 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: 96.0%

4-formyl-3-methyl-benzonitrile (27609-91-2) → 4-hydroxymethyl-3-methylbenzonitrile (227094-07-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol;

DOI:10.1016/S0960-894X(01)00661-8

Reference yield: 90.0%

3-methyl-4-vinylbenzonitrile → 4-hydroxymethyl-3-methylbenzonitrile (227094-07-7)

Guidance literature:

With sodium tetrahydroborate; ozone; In methanol; water; at -70 ℃; for 4h; Heating / reflux;

Reference yield: 84.0%

zinc(II) cyanide (557-21-1) + 4-bromo-2-methylbenzyl alcohol (17100-58-2) → 4-hydroxymethyl-3-methylbenzonitrile (227094-07-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 100 ℃; for 16h; Inert atmosphere;

upstream raw materials:

4-formyl-3-methyl-benzonitrile

4-bromo-3-methylbenzonirtile

zinc(II) cyanide

4-bromo-2-methylbenzyl alcohol

Downstream raw materials:

(4-cyano-2-methylphenyl)methyl methanesulfonate

methyl 2-[5-[(4-cyano-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate

2-[5-[(4-cyano-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

Refernces

• 1、 -. "HISTONE DEMETHYLASE INHIBITORS". Paragraph 00889; 00890. . Retrieved 2014/06/24.
• 2、 -. "Compounds". Example 2 (ii). . Retrieved 2008/06/13.