(2-ISOCYANOETHYL)BENZENE

Base Information

• Chemical Name: (2-ISOCYANOETHYL)BENZENE
• CAS No.: 59795-89-0
• Molecular Formula: C9H9N
• Molecular Weight: 131.177
• Hs Code.: 2926909090
• Mol file: 59795-89-0.mol

Synonyms:1-Isocyano-2-phenylethane;2-Phenylethyl isocyanide;Phenethyl isocyanide;

Chemical Property of (2-ISOCYANOETHYL)BENZENE

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Refractive Index: 1.518-1.52
• Boiling Point: 52 °C (2.2503 mmHg)
• PSA: 0.00000
• Density: 0.95
• LogP: 1.37910
• Storage Temp.: Refrigerator (+4°C)
• Solubility.: Chloroform, Ethyl Acetate

Purity/Quality:

98% ^*data from raw suppliers

(2-Isocyanoethyl)-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (2-Isocyanoethyl)-benzene is a useful synthetic intermediate. It is a reagent used in Ugi reactions to synthesize various compounds such as tetrazole and bisamide.

Technology Process of (2-ISOCYANOETHYL)BENZENE

There total 7 articles about (2-ISOCYANOETHYL)BENZENE 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: 97.0%

N-(2-phenylethyl)formamide (23069-99-0) → phenethyl isocyanide (59795-89-0)

Guidance literature:

With triethylamine; trichlorophosphate; In dichloromethane; for 0.0666667h; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc02722g

Reference yield: 97.0%

2-Phenylethylisocyaniddichlorid (6181-71-1) → phenethyl isocyanide (59795-89-0)

Guidance literature:

With lithium perchlorate; In N,N-dimethyl-formamide; at 15 ℃; Electrolysis;

DOI:10.1016/S0040-4020(99)00509-8

Reference yield: 80.0%

→ phenethyl isocyanide (59795-89-0)

Guidance literature:

With triethylamine; trichlorophosphate; In tetrahydrofuran; at 0 - 25 ℃; for 3.25h; Inert atmosphere;

upstream raw materials:

2-Phenylethylisocyaniddichlorid

N-(2-phenylethyl)formamide

chloroform

phenethylamine

Downstream raw materials:

2-Phenylethylisocyaniddichlorid

Refernces

• 1、 -. "Method for preparing isonitrile compound". Paragraph 0074-0079. . Retrieved 2021/01/30.
• 2、 -. "PHYTOSPHINGOSINE DERIVATIVES AS ADJUVANTS IN IMMUNE STIMULATION". Page/Page column 44-45. . Retrieved 2022/01/04.