What is the 1-Methyl-2-imidazolecarboxaldehyde?

1-Methyl-2-imidazolecarboxaldehyde is White to yellow crystalline mass, while it's Molecular Formula is C5H6N2O. White to yellow crystalline mass 1-Methyl-2-imidazolecarboxaldehyde may be used in the synthesis of:Schiff basesligand N,N-dimethyl-N′-(1-methylimidazole-2-ylmethyl)-ethylenediamine[(bis(1-methylimidazol-2-yl)methyl)(2-(pyridyl-2-yl)ethyl)amine]

What is the CAS number for 1-Methyl-2-imidazolecarboxaldehyde?

The CAS number of 1-Methyl-2-imidazolecarboxaldehyde is 13750-81-7.

Reputable Factory Supply High Purity 1-Methyl-2-imidazolecarboxaldehyde 13750-81-7 On Stock

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CasNo： 13750-81-7
Molecular Formula： C₅H₆N₂O
Appearance： White to yellow crystalline mass
Purity： 99%

Reputable Factory Supply High Purity 1-Methyl-2-imidazolecarboxaldehyde 13750-81-7 On Stock

Molecular Formula:C5H6N2O
Molecular Weight:110.115
Appearance/Colour:White to yellow crystalline mass
Vapor Pressure:0.0212mmHg at 25°C
Melting Point:36-39 °C(lit.)
Refractive Index:1.552
Boiling Point:250.8 °C at 760 mmHg
PKA:4.17±0.25(Predicted)
Flash Point:105.5 °C
PSA：34.89000
Density:1.14 g/cm³
LogP:0.23260

1-Methyl-2-imidazolecarboxaldehyde(Cas 13750-81-7) Usage

Chemical Properties	White to yellow crystalline mass,
Uses	It is an important raw material and intermediate used in organic synthesis, Pharmaceuticals, agrochemicals and dyestuffs.
Synthesis Reference(s)	Journal of Medicinal Chemistry, 26, p. 121, 1983 DOI: 10.1021/jm00356a001
General Description	1-Methyl-2-imidazolecarboxaldehyde is a heterocyclic building block. It affords tripodal ligands on condensation reaction with tris-(2-aminoethyl)amine (tren). These tripodal ligands react with iron(III) salts in the presence of air to afford iron(II) complexes. Its vibrational spectral studies have been reported.

InChI:InChI=1/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3

13750-81-7 Relevant articles

Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole- 2-yl)butadiyne ligand

Waidmann, Thomas,Fritsch, Nico,Tucher, Johannes,Rudolf, Marc,Glaser, Felix,Guldi, Dirk M.,Burzlaff, Nicolai

, p. 10157 - 10160 (2013)

Bis(N-methylimidazole-2-yl)butadiyne (bm...

Synthesis and biological evaluation of heterocyclic privileged medicinal structures containing (benz)imidazole unit

Boulebd, Houssem,Zama, Sana,Insaf, Bataiche,Bouraiou, Abdelmalek,Bouacida, Sofiane,Merazig, Hocine,Romero, Alejandro,Chioua, Mourad,Marco-Contelles, José,Belfaitah, Ali

, p. 2209 - 2220 (2016)

Abstract: New heterocyclic privileged me...

Structure-Activity Relationships for Reactivators of Organophosphorus-Inhibited Acetylcholinesterase: Quaternary Salts of 2-imidazole

Bedford, Clifford D.,Harris, Ralph N.,Howd, Robert A.,Miller, Alexi,Nolen, Harold W.,Kenley, Richard A.

, p. 1431 - 1438 (1984)

A series of 1,3-disubstituted-2-imidazol...

Functional mimics of copper enzymes. Synthesis and stereochemical properties of the copper(II) complexes of a trinucleating ligand derived from L-histidine

Santagostini, Laura,Gullotti, Michele,Pagliarin, Roberto,Bianchi, Emanuela,Casella, Luigi,Monzani, Enrico

, p. 281 - 295 (1999)

The ligand piperazine-1,4-bis[4-(N-(1-ac...

The synthesis of tripodal nitrogen donor ligands and their characterization as PdIIMe2 and PdIIIMe derivatives

Byers, Peter K.,Canty, Allan J.,Honeyman, Thomas

, p. 417 - 427 (1990)

New tripod ligands containing pyridin-2-...

Halogen-bond driven self-assembly of triangular macrocycles

Szell, Patrick M. J.,Siiskonen, Antti,Catalano, Luca,Cavallo, Gabriella,Terraneo, Giancarlo,Priimagi, Arri,Bryce, David L.,Metrangolo, Pierangelo

, p. 10467 - 10471 (2018)

2-Iodoethynylpyridine and 2-iodoethynyl-...

Tuning the optical properties of BODIPY dyes by N-rich heterocycle conjugation using a combined synthesis and computational approach

Banala, Srinivas,Kiessling, Fabian,Merkes, Jean Michel,Ostlender, Tobias,Sun, Haitao,Wang, Fufang

supporting information, p. 19641 - 19645 (2021/11/12)

The increased number of N-atoms induced ...

BICYCLIC COMPOUNDS

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Paragraph 00717, (2020/06/01)

Provided herein are compounds and pharma...

Multi-substituted amine compound and its preparation and use (by machine translation)

-

Paragraph 0711; 0715-0717, (2018/04/27)

The invention belongs to the field of me...

13750-81-7 Process route

: 616-47-7
1-methyl-1H-imidazole

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 13750-81-7
N-methyl-2-imidazolcarboxaldehyde

Conditions

Conditions	Yield
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - -73 ℃; for 0.0833333h; Inert atmosphere; N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - -73 ℃; for 0.0833333h; Inert atmosphere; With hydrogenchloride; In water; at 20 ℃; for 1h;	98.5%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.0833333h; Inert atmosphere; N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 ℃; for 1h; With hydrogenchloride; In tetrahydrofuran; hexane; at 20 ℃; for 1h;	97%
With n-butyllithium; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;	94%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃;	83%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; N,N-dimethyl-formamide; at 20 ℃; for 2h;	80%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; at 0 ℃; Inert atmosphere; N,N-dimethyl-formamide; In tetrahydrofuran; at 0 ℃; Inert atmosphere;	73%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; at -15 ℃; N,N-dimethyl-formamide; In tetrahydrofuran; at -15 ℃; In water; at 20 ℃;	72%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.33333h; N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 20h;	70%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; at -70 ℃; for 0.5h; N,N-dimethyl-formamide; In tetrahydrofuran; at -70 - 0 ℃; for 2h;	68%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere; N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;	56%
1-methyl-1H-imidazole; 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;	52%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere; Darkness; N,N-dimethyl-formamide; In tetrahydrofuran; hexane; for 0.333333h; Inert atmosphere; Darkness;	52%
1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere; N,N-dimethyl-formamide; In tetrahydrofuran; at 25 ℃; for 16h;	24.8%
With n-butyllithium; Yield given. Multistep reaction; 1.) diethyl ether, from -80 deg C to 0 deg C, 2.) RT, 6 h;
With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) hexane, THF, from -60 deg C to -50 deg C, 3 h, 2.) RT, overnight;
With n-butyllithium; Multistep reaction; 1.) THF, -40 deg C, 2.) THF;
With n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, -40 deg C, 1 h, 2.) THF, hexane, RT, 18 h;
1-methyl-1H-imidazole; With n-butyllithium; In diethyl ether; at -78 ℃; N,N-dimethyl-formamide; In diethyl ether;
With n-butyllithium; In tetrahydrofuran;
With n-butyllithium;

: 10111-08-7
2-imidazolecarbaldehyde

: 74-88-4
methyl iodide

: 13750-81-7
N-methyl-2-imidazolcarboxaldehyde

Conditions

Conditions	Yield
With potassium carbonate; In ethanol; N,N-dimethyl-formamide; at 50 ℃; for 5h;	59%
With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 5h;
With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

13750-81-7 Upstream products

616-47-7
1-methyl-1H-imidazole
107-31-3
Methyl formate
68-12-2
N,N-dimethyl-formamide
109-94-4
formic acid ethyl ester

13750-81-7 Downstream products

67319-03-3
bis(1-methyl-2-imidazolyl)hydroxymethane
290374-51-5
2-hydroxy-2-(1-methyl-2-imidazolyl)acetonitrile
93031-47-1
2-(cyclohexylhydroxymethyl)-1-methyl-1H-imidazole
118001-81-3
4-[(E)-2-(1-Methyl-1H-imidazol-2-yl)-vinyl]-benzonitrile

;

13750-81-7

Quick Details

Reputable Factory Supply High Purity 1-Methyl-2-imidazolecarboxaldehyde 13750-81-7 On Stock

1-Methyl-2-imidazolecarboxaldehyde(Cas 13750-81-7) Usage

13750-81-7 Relevant articles

Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole- 2-yl)butadiyne ligand

Waidmann, Thomas,Fritsch, Nico,Tucher, Johannes,Rudolf, Marc,Glaser, Felix,Guldi, Dirk M.,Burzlaff, Nicolai

, p. 10157 - 10160 (2013)

Synthesis and biological evaluation of heterocyclic privileged medicinal structures containing (benz)imidazole unit

Boulebd, Houssem,Zama, Sana,Insaf, Bataiche,Bouraiou, Abdelmalek,Bouacida, Sofiane,Merazig, Hocine,Romero, Alejandro,Chioua, Mourad,Marco-Contelles, José,Belfaitah, Ali

, p. 2209 - 2220 (2016)

Structure-Activity Relationships for Reactivators of Organophosphorus-Inhibited Acetylcholinesterase: Quaternary Salts of 2-imidazole

Bedford, Clifford D.,Harris, Ralph N.,Howd, Robert A.,Miller, Alexi,Nolen, Harold W.,Kenley, Richard A.

, p. 1431 - 1438 (1984)

Functional mimics of copper enzymes. Synthesis and stereochemical properties of the copper(II) complexes of a trinucleating ligand derived from L-histidine

Santagostini, Laura,Gullotti, Michele,Pagliarin, Roberto,Bianchi, Emanuela,Casella, Luigi,Monzani, Enrico

, p. 281 - 295 (1999)

The synthesis of tripodal nitrogen donor ligands and their characterization as PdIIMe2 and PdIIIMe derivatives

Byers, Peter K.,Canty, Allan J.,Honeyman, Thomas

, p. 417 - 427 (1990)

Halogen-bond driven self-assembly of triangular macrocycles

Szell, Patrick M. J.,Siiskonen, Antti,Catalano, Luca,Cavallo, Gabriella,Terraneo, Giancarlo,Priimagi, Arri,Bryce, David L.,Metrangolo, Pierangelo

, p. 10467 - 10471 (2018)

Tuning the optical properties of BODIPY dyes by N-rich heterocycle conjugation using a combined synthesis and computational approach

Banala, Srinivas,Kiessling, Fabian,Merkes, Jean Michel,Ostlender, Tobias,Sun, Haitao,Wang, Fufang

supporting information, p. 19641 - 19645 (2021/11/12)

BICYCLIC COMPOUNDS

-

Paragraph 00717, (2020/06/01)

Multi-substituted amine compound and its preparation and use (by machine translation)

-

Paragraph 0711; 0715-0717, (2018/04/27)

13750-81-7 Process route

13750-81-7 Upstream products

13750-81-7 Downstream products

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