4-Ethylphenyl isocyanide

Base Information

• Chemical Name: 4-Ethylphenyl isocyanide
• CAS No.: 143063-89-2
• Molecular Formula: C9H9 N
• Molecular Weight: 131.177
• Hs Code.: 2929900090
• DSSTox Substance ID: DTXSID60395727
• Nikkaji Number: J1.677.235F
• Mol file: 143063-89-2.mol

Synonyms:4-Ethylphenyl isocyanide;143063-89-2;1-ethyl-4-isocyanobenzene;4-Ethylphenylisocyanide;Benzene, 1-ethyl-4-isocyano- (9CI);Benzene,1-ethyl-4-isocyano-;SCHEMBL9888590;DTXSID60395727;BBL020972;MFCD00972858;STK893678;AKOS001476729;1-Ethyl-4-isocyanobenzene, AldrichCPR;BS-27361;E74502;EN300-1176910

Chemical Property of 4-Ethylphenyl isocyanide

Chemical Property:

• PSA: 0.00000
• LogP: 2.03050
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 131.073499291
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

4-ethylphenylisocyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)[N+]#[C-]

Technology Process of 4-Ethylphenyl isocyanide

There total 2 articles about 4-Ethylphenyl isocyanide 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%

N-(4-ethylphenyl)formamide (69753-59-9) → para-ethylphenyl isocyanide (143063-89-2)

Guidance literature:

With triethylamine; trichlorophosphate; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/ja011986v

Reference yield:

4-aminoethylbenzene (589-16-2) → para-ethylphenyl isocyanide (143063-89-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / toluene / 9 °C / Heating

2: 94 percent / Et₃N; POCl₃ / CH₂Cl₂ / 0.5 h / 0 °C

With triethylamine; trichlorophosphate; In dichloromethane; toluene;

DOI:10.1021/ja011986v

Reference yield: 99.0%

benzoic acid (65-85-0,8013-63-6) + para-ethylphenyl isocyanide (143063-89-2) → N-(4-ethylphenyl)benzamide (20371-68-0)

Guidance literature:

With potassium phosphate; palladium(II) trifluoroacetate; silver carbonate; In 1,4-dioxane; at 130 ℃; for 24h; Inert atmosphere;

DOI:10.1002/ejoc.201300982

upstream raw materials:

N-(4-ethylphenyl)formamide

4-aminoethylbenzene

Downstream raw materials:

Ti(C₅H₅)(C₇H₁₁)(C₂H₅(C₆H₄)NC)4

[Pt(para-ethylisocyanobenzene)4][Pt(CN)4]

1-{[(4-ethylphenyl)amino]carbonyl}-2,2,2-trifluoroethyl acetate

1-{[(4-ethylphenyl)amino]carbonyl}-2,2,2-trifluoro-1-methylethyl acetate