2-(2-Methoxyphenyl)ethylisocyanide

Base Information

• Chemical Name: 2-(2-Methoxyphenyl)ethylisocyanide
• CAS No.: 602262-85-1
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• DSSTox Substance ID: DTXSID60402905
• Mol file: 602262-85-1.mol

Synonyms:602262-85-1;1-(2-isocyanoethyl)-2-methoxybenzene;2-(2-METHOXYPHENYL)ETHYLISOCYANIDE;DTXSID60402905;EN300-1834139

Chemical Property of 2-(2-Methoxyphenyl)ethylisocyanide

Chemical Property:

• PSA: 9.23000
• LogP: 1.38770
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CC[N+]#[C-]

Technology Process of 2-(2-Methoxyphenyl)ethylisocyanide

There total 2 articles about 2-(2-Methoxyphenyl)ethylisocyanide 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: 90.0%

2-(2-methoxyphenyl)ethylformamide → 2-(2-methoxyphenyl)ethylisocyanide (602262-85-1)

Guidance literature:

With triethylamine; trichlorophosphate; In dichloromethane; at -10 ℃; for 3h; Inert atmosphere;

DOI:10.1111/cbdd.12153

Reference yield:

o-methoxy-2-phenylethylamine (2045-79-6) → 2-(2-methoxyphenyl)ethylisocyanide (602262-85-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 12.5 h / 0 °C / Reflux

2: triethylamine; trichlorophosphate / dichloromethane / 3 h / -10 °C / Inert atmosphere

With triethylamine; trichlorophosphate; In dichloromethane;

DOI:10.1111/cbdd.12153

Reference yield: 96.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-(2-methoxyphenyl)ethylisocyanide (602262-85-1) + 2,2-dimethoxyethylamine (22483-09-6) + Cyclohexanecarboxylic acid (98-89-5) → N-(2,2-dimethoxyethyl)-N-(2-oxo-2-(2-(2-methoxyphenyl)ethylamino)ethyl)cyclohexanecarboxamide

Guidance literature:

In methanol; at 0 - 20 ℃; for 48h;

DOI:10.1111/cbdd.12153

upstream raw materials:

o-methoxy-2-phenylethylamine

Downstream raw materials:

C₁₇H₂₀N₂O₃

C₂₁H₂₀N₂O₃

C₂₀H₃₀N₂O₅

C₁₉H₂₈N₂O₅

Refernces