1-(2-Chloroethyl)imidazolidin-2-one

Base Information

• Chemical Name: 1-(2-Chloroethyl)imidazolidin-2-one
• CAS No.: 2387-20-4
• Molecular Formula: C5H9ClN2O
• Molecular Weight: 148.592
• Hs Code.: 2933990090
• European Community (EC) Number: 219-212-1
• NSC Number: 76791
• UNII: BNT494P6EH
• DSSTox Substance ID: DTXSID60178572
• Nikkaji Number: J216.027G
• Wikidata: Q72450119
• Mol file: 2387-20-4.mol

Synonyms:1-(2-Chloroethyl)-2-imidazolidinone;2387-20-4;1-(2-Chloroethyl)imidazolidin-2-one;C5H9ClN2O;BNT494P6EH;EINECS 219-212-1;NSC-76791;2-Imidazolidinone, 1-(2-chloroethyl)-;NSC76791;UNII-BNT494P6EH;nsc 76791;SCHEMBL360815;AMY784;DTXSID60178572;(2-chloroethyl)imidazolidin-2-one;1-(2-chloroethyl)-2-imidazolidinon;MFCD09029607;1-(2-chloroethyl)imidazolidine-2-one;AKOS005215881;1-(2-chloroethyl)-imidazolidin-2-one;AC-8747;FF-0057;1-(2-Chloroethyl)-2-imidazolidinone #;CS-0062222;FT-0630012;EN300-214800;J-502988

Chemical Property of 1-(2-Chloroethyl)imidazolidin-2-one

Chemical Property:

• Vapor Pressure: 5.36E-05mmHg at 25°C
• Melting Point: 85-85 °C(Solv: acetone (67-64-1); carbon tetrachloride (56-23-5))
• Refractive Index: 1.489
• Boiling Point: 347.5 °C at 760 mmHg
• PKA: 14.31±0.20(Predicted)
• Flash Point: 164 °C
• PSA: 32.34000
• Density: 1.225 g/cm³
• LogP: 0.51710
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.0403406
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Chloroethyl)imidazolidin-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)N1)CCCl
• Uses: 1-(2-Chloroethyl)-2-imidazolidinone (cas# 2387-20-4) is a compound useful in organic synthesis.

Technology Process of 1-(2-Chloroethyl)imidazolidin-2-one

There total 4 articles about 1-(2-Chloroethyl)imidazolidin-2-one 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: 95.0%

2-oxo-imidazolidine-1-ethanol (3699-54-5) → 1-(2-chloroethyl)imidazolidin-2-one (2387-20-4)

Guidance literature:

With thionyl chloride; In chloroform; at 50 ℃;

DOI:10.1055/s-0037-1612413

Reference yield:

1,3-bis(2-chloroethyl)-1-nitrosourea (154-93-8) → 1,3-bis(2-chloroethyl)urea (2214-72-4) + 2-<(2-chloroethyl)amino>-2-oxazoline (71353-16-7) + 1-(2-chloroethyl)imidazolidin-2-one (2387-20-4) + ethanol (64-17-5) + ethylamine (75-04-7,85404-22-4)

Guidance literature:

With potassium hydroxide; aluminum nickel; In methanol; Product distribution; Mechanism; degradation under various conditions (HBr in glac. CH₃CO₂H) with preparation of nonmutagenic reaction mixtures of products;

DOI:10.1002/jps.2600780811

Reference yield:

1-(2-nitroamino-ethyl)-imidazolidin-2-one (98070-00-9) → 1-(2-chloroethyl)imidazolidin-2-one (2387-20-4)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01604a052

upstream raw materials:

2-oxo-imidazolidine-1-ethanol

1-(2-nitroamino-ethyl)-imidazolidin-2-one

1,3-bis(2-chloroethyl)-1-nitrosourea

Downstream raw materials:

1-(2-benzylamino-ethyl)-imidazolidin-2-one; hydrochloride

N-(vinyl)-2-imidazolidinone

2-aminoethylimidazolidone

2-(2-amino-4,5-dihydro-imidazol-1-yl)-ethanol

Refernces

• 1、 -. "N-VINYLIMIDAZOLIDONE COMPOUND, AND POLYMER THEREOF". Paragraph 0104; 0105. . Retrieved 2017/01/02.
• 2、 -. "MOLECULES HAVING COMBINABLE GROUPS". Paragraph 0045; 0048; 0050 - 0053. . Retrieved 2013/08/14.