p-Chlorophenyl ethylcarbamate

Base Information

• Chemical Name: p-Chlorophenyl ethylcarbamate
• CAS No.: 17576-37-3
• Molecular Formula: C₉H₁₀ClNO₂
• Molecular Weight: 199.637
• DSSTox Substance ID: DTXSID801260829
• Nikkaji Number: J1.394.138F
• Mol file: 17576-37-3.mol

Synonyms:p-Chlorophenyl ethylcarbamate;17576-37-3;4-chlorophenyl N-ethylcarbamate;4-Chlorophenyl ethylcarbamate #;DTXSID801260829;Carbamic acid, ethyl-, 4-chlorophenyl ester

Chemical Property of p-Chlorophenyl ethylcarbamate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC(=O)OC1=CC=C(C=C1)Cl

Technology Process of p-Chlorophenyl ethylcarbamate

There total 5 articles about p-Chlorophenyl ethylcarbamate 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: 14.0%

4-chloro-phenol (106-48-9,82344-39-6) → (p-chlorophenyl)methylcarbamate (17576-37-3) + n-butyl isocyanide (111-36-4)

Guidance literature:

With sodium iodide; N-butylamine;

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) + ethyl isocyanate (109-90-0) → (p-chlorophenyl)methylcarbamate (17576-37-3)

Guidance literature:

With pyridine; In toluene; Heating;

DOI:10.1021/jo050606b

Reference yield:

3-(4-chloro-phenyl)-1-(1-cyano-cyclohexyl)-1-hydroxy-urea (66285-88-9) → (p-chlorophenyl)methylcarbamate (17576-37-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone

2: Heating

In acetone;

DOI:10.1002/ardp.19783110109

upstream raw materials:

ethanol

1-(4-chloro-phenylcarbamoyloxy)-N²-phenyl-3-oxa-1-aza-spiro[4.5]decane-2,4-diylidenediamine

4-chloro-phenol

ethyl isocyanate

Downstream raw materials:

Ethyl-thiocarbamic acid O-(4-chloro-phenyl) ester

Refernces

• 1、 -. "Process for producing an aliphatic isocyanate". . . Retrieved 2008/06/13.