2-Ethoxyethyl cyanoacetate

Base Information

• Chemical Name: 2-Ethoxyethyl cyanoacetate
• CAS No.: 32804-77-6
• Molecular Formula: C7H11NO3
• Molecular Weight: 157.169
• Hs Code.: 2926909090
• European Community (EC) Number: 251-228-4
• DSSTox Substance ID: DTXSID60186475
• Nikkaji Number: J24.732D
• Wikidata: Q72471577
• Mol file: 32804-77-6.mol

Synonyms:2-Ethoxyethyl cyanoacetate;32804-77-6;2-ethoxyethyl 2-cyanoacetate;Cyanoacetic Acid 2-Ethoxyethyl Ester;EINECS 251-228-4;AI3-07221;2-Ethoxyethylcyanoacetate;ethoxyethyl cyanoacetate;2-ethoxyethyl2-cyanoacetate;SCHEMBL2856228;DTXSID60186475;2-Ethoxy ethyl cynoacetate(2-eeca);MFCD00071546;2-Ethoxy ethyl cynoacetate (2-EECA);AKOS015914973;Acetic acid, cyano-, 2-ethoxyethyl ester;AS-15240;LS-190833;C1756;FT-0612193;H11292;A821425;W-110825

Chemical Property of 2-Ethoxyethyl cyanoacetate

Chemical Property:

• Vapor Pressure: 0.00458mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 277.219 °C at 760 mmHg
• PKA: 2.76±0.10(Predicted)
• Flash Point: 118.967 °C
• PSA: 59.32000
• Density: 1.067 g/cm³
• LogP: 0.47978
• Water Solubility.: Insoluble in water
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 157.07389321
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2-Ethoxyethyl Cyanoacetate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCOC(=O)CC#N

Technology Process of 2-Ethoxyethyl cyanoacetate

There total 3 articles about 2-Ethoxyethyl cyanoacetate 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:

2-ethoxy-ethanol (110-80-5) + cyanoacetic acid (372-09-8) → 2-ethoxyethyl-cyanoacetate (32804-77-6)

Guidance literature:

With sodium hydrogen sulfate; In toluene; Heating;

DOI:10.1021/jf034067s DOI:10.1021/jf035312a

Reference yield:

chloro-acetic acid-(2-ethoxy-ethyl ester) (60682-94-2) + potassium cyanide (151-50-8) → 2-ethoxyethyl-cyanoacetate (32804-77-6)

Guidance literature:

In acetonitrile;

Reference yield:

2-ethoxy-ethanol (110-80-5) + ethyl 2-cyanoacetate (105-56-6) → 2-ethoxyethyl-cyanoacetate (32804-77-6)

Guidance literature:

With ion-exchange resin + form>; (heating);

upstream raw materials:

chloro-acetic acid-(2-ethoxy-ethyl ester)

potassium cyanide

2-ethoxy-ethanol

ethyl 2-cyanoacetate

Downstream raw materials:

methyl benzylidenecyanoacetate

2-ethoxyethyl (2Z)-cyano{3-[(3-methoxypropyl)amino] cyclohex-2-en-1-ylidene}ethanoate

2-ethoxyethyl (2Z)-cyano-{3-[(3-methoxypropyl)amino]cyclohex-2-en-1-ylidene}ethanoate

C₂₂H₃₃N₂O₈PS

Refernces

• 1、 Long, Ning,Cai, Xue-Jian,Song, Bao-An,Yang, Song,Chen, Zhuo,Bhadury, Pinaki S.,Hu, De-Yu,Jin, Lin-Hong,Xue, Wei. "Synthesis and antiviral activities of cyanoacrylate derivatives containing an α-aminophosphonate moiety". body text. p. 5242 - 5246. Retrieved 2010/04/06.
• 2、 Wang, Qingmin,Sun, Huikai,Cao, Huanyan,Cheng, Muru,Huang, Runqiu. "Synthesis and herbicidal activity of 2-cyano-3-substituted-pyridinemethylaminoacrylates". . p. 5030 - 5035. Retrieved 2007/10/03.