1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde

Base Information

• Chemical Name: 1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde
• CAS No.: 185910-12-7
• Molecular Formula: C7H10N2O
• Molecular Weight: 138.17
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID10595114
• Wikidata: Q72514089
• Mol file: 185910-12-7.mol

Synonyms:1,4,5-TRIMETHYL-1H-IMIDAZOLE-2-CARBALDEHYDE;185910-12-7;1,4,5-trimethylimidazole-2-carbaldehyde;1H-Imidazole-2-carboxaldehyde,1,4,5-trimethyl-(9CI);SCHEMBL1409887;DTXSID10595114;RTPPLWUJHUAFLS-UHFFFAOYSA-N;MFCD08060878;AKOS005175071;AT37824;1,4,5-Trimethylimidazol-2-carboxaldehyde;BS-37408;1,4,5-Trimethylimidazole-2-carboxaldehyde;DB-011822;CS-0374099;EN300-3445862;A853253;Z1198175785;1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde, AldrichCPR

Chemical Property of 1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.00232mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 288.6 °C at 760 mmHg
• Flash Point: 128.3 °C
• PSA: 34.89000
• Density: 1.09 g/cm³
• LogP: 0.84940
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.079312947
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

1,4,5-trimethyl-1H-imidazole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N(C(=N1)C=O)C)C

Technology Process of 1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde

There total 1 articles about 1,4,5-Trimethyl-1H-imidazole-2-carbaldehyde 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: 53.0%

1,4,5-Trimethylimidazole (20185-22-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1,4,5-trimethyl-1H-imidazole-2-carbaldehyde (185910-12-7)

Guidance literature:

1,4,5-Trimethylimidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

With ammonium chloride; In tetrahydrofuran; hexane; water;

DOI:10.1002/ejoc.201100857

Reference yield: 78.0%

1,4,5-trimethyl-1H-imidazole-2-carbaldehyde (185910-12-7) → (1,4,5-Trimethyl-1H-imidazol-2-yl)-methanol (185910-13-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 18h; Ambient temperature;

DOI:10.1016/S0040-4020(96)00925-8

Reference yield: 18.0%

(E)-4-(4-fluorobenzylideneamino)isobenzofuran-1(3H)-one (1207454-48-5) + sodium ethanolate (141-52-6) + 1,4,5-trimethyl-1H-imidazole-2-carbaldehyde (185910-12-7) → ethyl 2-(4-fluorophenyl)-4-oxo-3-(1,4,5-trimethyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxylate (1207454-70-3)

Guidance literature:

In ethanol; Ethyl propionate; at 0 - 20 ℃;

upstream raw materials:

1,4,5-Trimethylimidazole

N,N-dimethyl-formamide

Downstream raw materials:

(1,4,5-Trimethyl-1H-imidazol-2-yl)-methanol

ethyl 2-(4-fluorophenyl)-4-oxo-3-(1,4,5-trimethyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxylate

Refernces

• 1、 -. "METHODS OF USING DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY (ADP-RIBOSE)POLYMERASE (PARP)". Page/Page column 150-151. . Retrieved 2011/11/01.
• 2、 Alcalde, Ermitas,Alemany, Montserrat,Gisbert, Maria. "A direct synthetic approach to novel quadrupolar [14]azolophanes". . p. 15171 - 15188. Retrieved 2007/10/03.