Ethyl 2,2-diethoxyethylcarbamate

Base Information

• Chemical Name: Ethyl 2,2-diethoxyethylcarbamate
• CAS No.: 71545-58-9
• Molecular Formula: C₉H₁₉NO₄
• Molecular Weight: 205.254
• DSSTox Substance ID: DTXSID30500841
• Wikidata: Q82352806
• Mol file: 71545-58-9.mol

Synonyms:ethyl 2,2-diethoxyethylcarbamate;71545-58-9;ethyl N-(2,2-diethoxyethyl)carbamate;ethyl (2,2-diethoxyethyl)carbamate;ethyl 2,2-diethoxyethyl carbamate;SCHEMBL11185022;DTXSID30500841;QCLGBTNSZDDWOH-UHFFFAOYSA-N;AKOS017556136;FT-0656047;N-(2,2-diethoxyethyl)carbamic acid ethyl ester;A837239

Chemical Property of Ethyl 2,2-diethoxyethylcarbamate

Chemical Property:

• PSA: 60.28000
• LogP: 1.33600
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 205.13140809
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

ETHYL 2,2-DIETHOXYETHYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(CNC(=O)OCC)OCC

Technology Process of Ethyl 2,2-diethoxyethylcarbamate

There total 3 articles about Ethyl 2,2-diethoxyethylcarbamate 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%

chloroformic acid ethyl ester (541-41-3) + 2,2-diethoxy-ethanamine (645-36-3) → (2,2-diethoxy-ethyl)-carbamic acid ethyl ester (71545-58-9)

Guidance literature:

chloroformic acid ethyl ester; With 1-hydroxy-pyrrolidine-2,5-dione; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

2,2-diethoxy-ethanamine; In acetonitrile; at 20 ℃; Cooling with ice;

Reference yield:

C7H11Cl2NO4 (343333-20-0) → (2,2-diethoxy-ethyl)-carbamic acid ethyl ester (71545-58-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaHSO₃

2: ethanol

With sodium hydrogensulfite; In ethanol;

Reference yield:

N-(2-Chlor-2-acetoxy-ethyl)-carbaminsaeure-ethylester (15042-64-5) + sodium ethanolate (141-52-6) → (2,2-diethoxy-ethyl)-carbamic acid ethyl ester (71545-58-9)

Guidance literature:

In ethanol;

upstream raw materials:

chloroformic acid ethyl ester

2,2-diethoxy-ethanamine

N-(2-Chlor-2-acetoxy-ethyl)-carbaminsaeure-ethylester

sodium ethanolate

Refernces