1,3-Dihydro-4-methyl-2H-imidazol-2-one

Base Information

• Chemical Name: 1,3-Dihydro-4-methyl-2H-imidazol-2-one
• CAS No.: 1192-34-3
• Molecular Formula: C4H6 N2 O
• Molecular Weight: 98.1044
• Hs Code.: 2933290090
• European Community (EC) Number: 214-751-9
• NSC Number: 186756
• DSSTox Substance ID: DTXSID60152337
• Nikkaji Number: J203.456E
• Wikidata: Q72465541
• Mol file: 1192-34-3.mol

Synonyms:1192-34-3;1,3-Dihydro-4-methyl-2H-imidazol-2-one;4-Methyl-1H-imidazol-2(3H)-one;4-methyl-1,3-dihydroimidazol-2-one;4-Methyl-4-imidazolin-2-one;4-methyl-1,3-dihydro-2H-imidazol-2-one;2H-Imidazol-2-one, 1,3-dihydro-4-methyl-;EINECS 214-751-9;4-methyl-2,3-dihydro-1H-imidazol-2-one;4-Methyl-2-(1H)imidazolone;NSC186756;2H-Imidazol-2-one,1,3-dihydro-4-methyl-;4-Methyl-1H-imidazol-2-ol #;Imidazole, 2-hydroxy-4-methyl-;DTXSID60152337;MFCD00233011;AKOS006274712;AKOS015856139;AKOS015898129;AB05017;NSC 186756;NSC-186756;1,3-dihydro-4-methyl-2H-imidazole-2-one;CS-0188032;FT-0619043;EN300-127303;O11257;A804229;Z2630875693

Chemical Property of 1,3-Dihydro-4-methyl-2H-imidazol-2-one

Chemical Property:

• Melting Point: 92-95?°C(lit.)
• Boiling Point: °Cat760mmHg
• PKA: 12.54±0.70(Predicted)
• Flash Point: °C
• PSA: 48.65000
• Density: 1.107g/cm³
• LogP: 0.01140
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 98.048012819
• Heavy Atom Count: 7
• Complexity: 128

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methyl-4-imidazolin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CNC(=O)N1
• Uses: 4-Methyl-4-imidazolin-2-one is a compound comparable to uric acid that may be an important antioxidant and free radical scavenger in humans.

Technology Process of 1,3-Dihydro-4-methyl-2H-imidazol-2-one

There total 7 articles about 1,3-Dihydro-4-methyl-2H-imidazol-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: 72.0%

isopropyl alcohol (67-63-0,8013-70-5) → 4-methyl-1,3-dihydro-imidazol-2-one (1192-34-3)

Guidance literature:

With hydrogenchloride; sodium hydrogencarbonate; sodium carbonate; In methanol; ethanol; chloroform;

Reference yield: 56.0%

cyanic acid (420-05-3) + glycine methyl ketone (298-08-8) → 4-methyl-1,3-dihydro-imidazol-2-one (1192-34-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1002/ardp.19953281005

Reference yield: 41.0%

3-acetonyl-2,4-thiazolidinedione (88419-03-8) → 4-methyl-1,3-dihydro-imidazol-2-one (1192-34-3)

Guidance literature:

With ammonium hydroxide; for 4h; Heating;

upstream raw materials:

5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid ethyl ester

(Z)-2-oxopropanal oxime

3-acetonyl-2,4-thiazolidinedione

cyanic acid

Downstream raw materials:

4-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-ylmethylene)-2-phenyl-4H-oxazol-5-one

4-Methyl-5-(pyridine-2-carbonyl)-1,3-dihydro-imidazol-2-one

4-(2-Chloro-pyridine-3-carbonyl)-5-methyl-1,3-dihydro-imidazol-2-one

1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-2H-imidazol-2-one

Refernces

• 1、 Glass,Buschauer,Tenor,Bartel,Will-Shahab,Krause. "4-(4-Guanidinobenzoyl)-2-imidazolones and related compounds: Phosphodiesterase inhibitors and novel cardiotonics with combined histamine H2 receptor agonist and PDE III inhibitor activity". . p. 709 - 719. Retrieved 2007/10/03.
• 2、 Shvaika, O. P.,Korotkikh, N. I.,Chervinskii, A. Yu.,Artemov, V. N.. "RECYCLIZATION REACTIONS. RECYCLIZATIONS OF 3-ACYLMETHYL-2,4-THIAZOLIDINEDIONES BY THE ACTION OF NUCLEOPHILES". . p. 1533 - 1543. Retrieved 2007/10/02.