1-CYANO-3,6-DIMETHOXY-BENZOCYCLOBUTENE

Base Information

• Chemical Name: 1-CYANO-3,6-DIMETHOXY-BENZOCYCLOBUTENE
• CAS No.: 912342-26-8
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.214
• Mol file: 912342-26-8.mol

Synonyms:1-CYANO-3,6-DIMETHOXY-BENZOCYCLOBUTENE

Chemical Property of 1-CYANO-3,6-DIMETHOXY-BENZOCYCLOBUTENE

Chemical Property:

• Vapor Pressure: 1.43E-05mmHg at 25°C
• Boiling Point: 366.8°C at 760 mmHg
• Flash Point: 152.9°C
• PSA: 42.25000
• Density: 1.23g/cm³
• LogP: 2.08138

Purity/Quality:

1-CYANO-3,6-DIMETHOXY-BENZOCYCLOBUTENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-CYANO-3,6-DIMETHOXY-BENZOCYCLOBUTENE

There total 2 articles about 1-CYANO-3,6-DIMETHOXY-BENZOCYCLOBUTENE 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:

3,6-dimethoxy-2-nitrobenzoic acid (50472-09-8) → 2,5-dimethoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (912342-26-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: H₂ / Pd/C / ethanol / 0.5 h / 1034.3 Torr

2.1: aq. HCl; isoamyl nitrite / diethyl ether; ethanol / 0.17 h / 0 °C

2.2: 231 mg / propylene oxide / 1,2-dichloro-ethane / 2 h / Heating

With hydrogenchloride; hydrogen; isopentyl nitrite; palladium on activated charcoal; In diethyl ether; ethanol;

DOI:10.1021/jm060656o

Reference yield:

2-amino-3,6-dimethoxybenzoic acid (50472-10-1) + acrylonitrile (107-13-1,25014-41-9) → 2,5-dimethoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (912342-26-8)

Guidance literature:

2-amino-3,6-dimethoxybenzoic acid; With hydrogenchloride; isopentyl nitrite; In diethyl ether; ethanol; at 0 ℃; for 0.166667h;

acrylonitrile; With methyloxirane; In 1,2-dichloro-ethane; for 2h; Heating;

DOI:10.1021/jm060656o

upstream raw materials:

2-amino-3,6-dimethoxybenzoic acid

acrylonitrile

3,6-dimethoxy-2-nitrobenzoic acid

Refernces