2,3-Difluoro-5-Methylbenzonitrile

Base Information

• Chemical Name: 2,3-Difluoro-5-Methylbenzonitrile
• CAS No.: 1003712-18-2
• Molecular Formula: C8H5F2N
• Molecular Weight: 153.13
• Hs Code.: 2926909090
• Mol file: 1003712-18-2.mol

Synonyms:Sodium perborate7632-04-4;2,3-Difluoro-5-Methylbenzonitrile;Benzonitrile, 2,3-difluoro-5-methyl-

Chemical Property of 2,3-Difluoro-5-Methylbenzonitrile

Chemical Property:

• Boiling Point: 214.779 °C at 760 mmHg
• Flash Point: 83.696 °C
• PSA: 23.79000
• Density: 1.217 g/cm³
• LogP: 2.14488
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Difluoro-5-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,3-Difluoro-5-Methylbenzonitrile

There total 2 articles about 2,3-Difluoro-5-Methylbenzonitrile 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: 62.0%

1,2-difluoro-3-iodo-5-methylbenzene (886038-03-5) → 2,3-difluoro-5-methylbenzonitrile (1003712-18-2)

Guidance literature:

With copper(l) cyanide; In N,N-dimethyl-formamide; for 20h; Reflux;

DOI:10.1016/j.ejmech.2017.06.053

Reference yield:

3,4-difluorotoluene (2927-34-6) → 2,3-difluoro-5-methylbenzonitrile (1003712-18-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; tert-butyl methyl ether / 1 h / -78 °C / Inert atmosphere

1.2: 2 h / -78 - 20 °C

2.1: copper(l) cyanide / N,N-dimethyl-formamide / 20 h / Reflux

With n-butyllithium; copper(l) cyanide; In tetrahydrofuran; tert-butyl methyl ether; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2017.06.053

Reference yield:

2,3-difluoro-5-methylbenzonitrile (1003712-18-2) → 4-(3-(4-(4-bromophenyl)piperazine-1-carbonyl)-4,5-difluorobenzyl)phthalazin-1(2H)-one

Guidance literature:

Multi-step reaction with 5 steps

1.1: N-Bromosuccinimide / tetrachloromethane / 48 h / Reflux

2.1: silver nitrate / acetonitrile; water / 2 h / Reflux

3.1: triethylamine / tetrahydrofuran / 0.5 h / 15 °C

4.1: sodium hydroxide / water / 1 h / 90 °C

4.2: 18 h / 70 °C

5.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / N,N-dimethyl acetamide

With N-Bromosuccinimide; benzotriazol-1-ol; silver nitrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In tetrahydrofuran; tetrachloromethane; N,N-dimethyl acetamide; water; acetonitrile;

DOI:10.1016/j.ejmech.2017.06.053

upstream raw materials:

1,2-difluoro-3-iodo-5-methylbenzene

3,4-difluorotoluene

Refernces