Benzonitrile, 3-formyl-2-methyl- (9CI)

Base Information

• Chemical Name: Benzonitrile, 3-formyl-2-methyl- (9CI)
• CAS No.: 27613-34-9
• Molecular Formula: C9H7 N O
• Molecular Weight: 145.161
• Hs Code.: 2926907090
• Mol file: 27613-34-9.mol

Synonyms:Isophthalaldehydonitrile,2-methyl- (8CI)

Chemical Property of Benzonitrile, 3-formyl-2-methyl- (9CI)

Chemical Property:

• PSA: 40.86000
• LogP: 1.67918

Purity/Quality:

99% ^*data from raw suppliers

3-Formyl-2-methylbenzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 3-formyl-2-methyl- (9CI)

There total 2 articles about Benzonitrile, 3-formyl-2-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: 86.0%

3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-2-methyl-benzonitrile (93340-34-2) → 3-formyl-2-methyl-benzonitrile (27613-34-9)

Guidance literature:

With hydrogenchloride; Methyl fluorosulfonate; sodium tetrahydroborate; CH₂Cl₂, 25 deg C, 15 hrs then EtOH-THF, from 0 deg C to 25 deg C, 30 min then 25 deg C, 20 min (one-pot);

DOI:10.1016/S0040-4039(01)81332-0

Reference yield:

2-(m-chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole (80762-49-8) → 3-formyl-2-methyl-benzonitrile (27613-34-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 57 percent / n-butyllithium, LDA, ethanol / diethyl ether; pentane / 0.75 h / -78 deg C, then 25 deg C, 45 min

2: 86 percent / FSO₃Me, sodium borohydride, 4.5N HCl / CH₂Cl₂, 25 deg C, 15 hrs then EtOH-THF, from 0 deg C to 25 deg C, 30 min then 25 deg C, 20 min (one-pot)

With hydrogenchloride; Methyl fluorosulfonate; sodium tetrahydroborate; n-butyllithium; ethanol; lithium diisopropyl amide; In diethyl ether; pentane;

DOI:10.1016/S0040-4039(01)81332-0

Reference yield:

3-(pyridin-4-yl)-1-trityl-1H-indazol-5-amine (1192873-43-0) + 3-formyl-2-methyl-benzonitrile (27613-34-9) → C40H31N5

Guidance literature:

With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2021.114080

upstream raw materials:

3-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-2-methyl-benzonitrile

2-(m-chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole

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