P-NITROPHENYL CYANATE

Base Information

• Chemical Name: P-NITROPHENYL CYANATE
• CAS No.: 1129-38-0
• Molecular Formula: C7H4 N2 O3
• Molecular Weight: 164.12
• Hs Code.: 2929909090
• Mol file: 1129-38-0.mol

Synonyms:Cyanicacid, p-nitrophenyl ester (7CI,8CI); 4-Nitrophenyl cyanate; p-Nitrophenylcyanate

Chemical Property of P-NITROPHENYL CYANATE

Chemical Property:

• PSA: 78.84000
• LogP: 1.97788
• Storage Temp.: -20°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Cyanato-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of P-NITROPHENYL CYANATE

There total 4 articles about P-NITROPHENYL CYANATE 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: 81.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + bromocyane (506-68-3) → 4-nitrophenyl cyanate (1129-38-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 6h;

DOI:10.1016/j.tetlet.2018.04.032

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + cyanogen chloride (506-77-4) → 4-nitrophenyl cyanate (1129-38-0)

Guidance literature:

With triethylamine;

Reference yield:

4-nitrophenyl chlorothionoformate (1132-69-0) → 4-nitrophenyl cyanate (1129-38-0)

Guidance literature:

Multistep reaction; (i) aq. NaN₃, acetone, (ii) (thermolysis);

upstream raw materials:

4-nitro-phenol

cyanogen chloride

4-nitrophenyl chlorothionoformate

bromocyane

Downstream raw materials:

C₁₈H₂₀N₄O₄

Refernces

• 1、 Karmaker, Pran Gopal,Qiu, Jiashen,Wu, Di,Zhang, Sule,Yin, Hongquan,Chen, Fu-Xue. "Improved organocatalytic electrophilic α-cyanation of β-keto amides with 1-cyanato-4-nitrobenzene". supporting information. p. 2034 - 2037. Retrieved 2018/04/25.