4-Ethoxyphenyl isocyanate

Base Information

• Chemical Name: 4-Ethoxyphenyl isocyanate
• CAS No.: 32459-62-4
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• Hs Code.: 29291090
• European Community (EC) Number: 626-015-8
• DSSTox Substance ID: DTXSID0067688
• Nikkaji Number: J410.649K
• Mol file: 32459-62-4.mol

Synonyms:4-Ethoxyphenyl isocyanate;32459-62-4;1-ethoxy-4-isocyanatobenzene;Benzene, 1-ethoxy-4-isocyanato-;Isocyanic Acid 4-Ethoxyphenyl Ester;p-Ethoxy phenyl isocyanate;4-Isocyanatophenetole;4-Ethoxyphenylisocyanate;p- Athoxyphenylisocyanat;SCHEMBL230798;1-ethoxy-4-isocyanato-benzene;DTXSID0067688;4-Ethoxyphenyl isocyanate, 99%;GEO-01307;MFCD00013877;STK504549;AKOS000177771;FS-4492;BB 0254654;E0770;FT-0618816;D90563;EN300-146845;W-200304;F2163-0005

Chemical Property of 4-Ethoxyphenyl isocyanate

Chemical Property:

• Appearance/Colour: irritable\colorless liquid
• Vapor Pressure: 0.0399mmHg at 25°C
• Melting Point: 61 °C(Solv: ethanol (64-17-5))
• Refractive Index: n20/D 1.536(lit.)
• Boiling Point: 239.5 °C at 760mmHg
• Flash Point: 104.6 °C
• PSA: 38.66000
• Density: 1.11 g/mL at 25 °C(lit.)
• LogP: 2.05260
• Storage Temp.: 0-10°C
• Sensitive.: Moisture Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

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

4-Ethoxyphenyl Isocyanate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 7-26-27-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)N=C=O
• Uses: 1-Ethoxy-4-isocyanatobenzene is a useful reagent in the preparation of semicarbazides and their cyclized triazolones that exhibits antibacterial and antimicrobial properties.

Technology Process of 4-Ethoxyphenyl isocyanate

There total 13 articles about 4-Ethoxyphenyl isocyanate 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: 67.5%

bis(trichloromethyl) carbonate (32315-10-9) + 4-Ethoxyaniline (156-43-4) → 4-ethoxyphenyl isocyanate (32459-62-4)

Guidance literature:

With triethylamine; In benzene; Heating;

DOI:10.1002/ps.2780420406

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + methoxybenzene (100-66-3) + N,N'-bis-(4-ethoxy-phenyl)-urea (740-80-7) → 4-Ethoxyaniline (156-43-4) + 4-ethoxyphenyl isocyanate (32459-62-4)

Guidance literature:

Reference yield:

phosgene (75-44-5) + 4-Ethoxyaniline (156-43-4) → p-chlorphenylisocyanate (104-12-1) + 4-ethoxyphenyl isocyanate (32459-62-4)

Guidance literature:

With 1-Chloronaphthalene; at 240 ℃;

upstream raw materials:

potassium cyanate

4-ethoxybenzenediazonium

4-ethoxy benzoyl azide

phosgene

Downstream raw materials:

3,5-dioxo-2-phenyl-pyrazolidine-1-carboxylic acid 4-ethoxy-anilide

N,N'-bis-(4-ethoxy-phenyl)-urea

3-(4-ethoxy-phenyl)-6-methyl-[1,3]oxazine-2,4-dione

2-methyl-1,1,3-trioxo-1,2,3,4-tetrahydro-1λ⁶-benzo[e][1,2]thiazine-4-carboxylic acid 4-ethoxy-anilide

Refernces

• 1、 Lazewska,Kiec-Kononowicz, Katarzyna,Pertz,Elz,Stark,Schunack. "Piperidine-containing histamine H3 receptor antagonists of the carbamate series: The influence of the additional ether functionality". . p. 791 - 795. Retrieved 2007/10/03.