Diethyl [(4-chlorophenyl)methylene]bis(hydrogen carbonimidate)

Base Information

• Chemical Name: Diethyl [(4-chlorophenyl)methylene]bis(hydrogen carbonimidate)
• CAS No.: 92018-97-8
• Molecular Formula: C₁₃H₁₇ClN₂O₄
• Molecular Weight: 300.742
• NSC Number: 105433
• DSSTox Substance ID: DTXSID90919399
• Wikidata: Q82891898
• Mol file: 92018-97-8.mol

Synonyms:92018-97-8;NSC105433;DTXSID90919399;Diethyl [(4-chlorophenyl)methylene]bis(hydrogen carbonimidate);NSC-105433

Chemical Property of Diethyl [(4-chlorophenyl)methylene]bis(hydrogen carbonimidate)

Chemical Property:

• Vapor Pressure: 5.18E-09mmHg at 25°C
• Boiling Point: 470.2°Cat760mmHg
• Flash Point: 238.2°C
• Density: 1.242g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 300.0876847
• Heavy Atom Count: 20
• Complexity: 300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC(C1=CC=C(C=C1)Cl)NC(=O)OCC

Technology Process of Diethyl [(4-chlorophenyl)methylene]bis(hydrogen carbonimidate)

There total 2 articles about Diethyl [(4-chlorophenyl)methylene]bis(hydrogen carbonimidate) 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:

4-chlorobenzaldehyde (104-88-1) + urethane (51-79-6) → N,N'-(4-chloro-benzylidene)-bis-carbamic acid diethyl ester (92018-97-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01364a021

Reference yield:

N,N'-methanediyl-bis-carbamic acid diethyl ester (3693-53-6) + 4-chlorobenzaldehyde (104-88-1) → N,N'-(4-chloro-benzylidene)-bis-carbamic acid diethyl ester (92018-97-8)

Guidance literature:

With boron trifluoride diethyl etherate; In benzene;

Reference yield:

N,N'-(4-chloro-benzylidene)-bis-carbamic acid diethyl ester (92018-97-8) → (4-chlorophenyl)chloromethyl isocyanate (41464-88-4)

Guidance literature:

With phosphorus pentachloride; In benzene; for 4h; Heating;

DOI:10.1055/s-2006-926241

upstream raw materials:

4-chlorobenzaldehyde

urethane

N,N'-methanediyl-bis-carbamic acid diethyl ester

Downstream raw materials:

(4-chlorophenyl)chloromethyl isocyanate