Benzonitrile, 3-methoxy-2-(1-methylethyl)- (9CI)

Base Information

• Chemical Name: Benzonitrile, 3-methoxy-2-(1-methylethyl)- (9CI)
• CAS No.: 105041-68-7
• Molecular Formula: C11H13 N O
• Molecular Weight: 175.23
• Hs Code.: 2926909090
• Mol file: 105041-68-7.mol

Synonyms:m-Anisonitrile,2-isopropyl- (6CI); 2-Isopropyl-3-methoxybenzonitrile

Chemical Property of Benzonitrile, 3-methoxy-2-(1-methylethyl)- (9CI)

Chemical Property:

• PSA: 33.02000
• LogP: 2.69028

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 3-methoxy-2-(1-methylethyl)- (9CI)

There total 2 articles about Benzonitrile, 3-methoxy-2-(1-methylethyl)- (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: 94.0%

2,3-dimethoxybenzonitrile (5653-62-3) + isopropylmagnesium chloride (1068-55-9) → 2-isopropyl-3-methoxybenzonitrile (105041-68-7)

Guidance literature:

In diethyl ether; at 0 - 23 ℃; Inert atmosphere;

DOI:10.1021/ol100929z

Reference yield:

2,3-dimethoxybenzonitrile (5653-62-3) + isopropylmagnesium bromide (920-39-8) → 2-isopropyl-3-methoxybenzonitrile (105041-68-7)

Guidance literature:

With diethyl ether; Behandeln des Reaktionsgemisches mit wss. Salzsaeure;

DOI:10.1021/jo01162a005

Reference yield: 87.0%

2-isopropyl-3-methoxybenzonitrile (105041-68-7) → 2-isopropyl-3-methoxybenzaldehyde (93351-17-8)

Guidance literature:

2-isopropyl-3-methoxybenzonitrile; With diisobutylaluminium hydride; In hexane; toluene; at -78 ℃; Inert atmosphere;

With acetic acid; In hexane; water; toluene; for 0.5h; Cooling with ice;

DOI:10.1021/ol100929z

upstream raw materials:

2,3-dimethoxybenzonitrile

isopropylmagnesium bromide

isopropylmagnesium chloride

Downstream raw materials:

2-isopropyl-3-methoxy-benzoic acid amide

2-Isopropyl-3-Methoxybenzoic Acid

3-Carboxyphenol

2-isopropyl-3-methoxy-aniline

Refernces

• 1、 Kim, Michelle B.,O'Brien, Terrence E.,Moore, Jared T.,Anderson, David E.,Foss, Marie H.,Weibel, Douglas B.,Ames, James B.,Shaw, Jared T.. "The synthesis and antimicrobial activity of heterocyclic derivatives of totarol". supporting information. p. 818 - 822. Retrieved 2013/01/15.