1-(Diethoxymethyl)imidazole

Base Information

• Chemical Name: 1-(Diethoxymethyl)imidazole
• CAS No.: 61278-81-7
• Molecular Formula: C8H14 N2 O2
• Molecular Weight: 170.211
• Hs Code.: 2933290090
• European Community (EC) Number: 627-227-3
• Nikkaji Number: J2.416.620A
• Mol file: 61278-81-7.mol

Synonyms:1-(Diethoxymethyl)imidazole;61278-81-7;1-(Diethoxymethyl)-1H-imidazole;N-diethoxymethylimidazole;1-Diethoxymethylimidazole;N-(diethoxymethyl)imidazole;SCHEMBL57725;1-diethoxymethyl-1h-imidazole;NNQBAGFIYBBAFL-UHFFFAOYSA-N;MFCD00956331;AKOS000320657;1-(Diethoxymethyl)imidazole, >=97.0%;imidazole-l-carboxaldehyde diethyl acetal;1H-Imidazole-1-carbaldehyde diethyl acetal;CS-0331628;FT-0640740;EN300-181928;F14529;methyl(3alpha,14beta,16alpha)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate,[R-(R*,R*)]-tartrate(1:1)

Chemical Property of 1-(Diethoxymethyl)imidazole

Chemical Property:

• Vapor Pressure: 0.0207mmHg at 25°C
• Refractive Index: n20/D 1.464
• Boiling Point: 259.7°C at 760 mmHg
• PKA: 6.13±0.20(Predicted)
• Flash Point: 110.9°C
• PSA: 36.28000
• Density: 1.041 g/mL at 20 °C(lit.)
• LogP: 1.41220
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 170.105527694
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

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

1-(Diethoxymethyl)imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 908482
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(N1C=CN=C1)OCC
• Uses: 1-(Diethoxymethyl)imidazole may be used in the preparation of various hydroxy- and amino-functionalized imidazoles, via isoprene-mediated lithiation followed by reaction with an electrophile.

Technology Process of 1-(Diethoxymethyl)imidazole

There total 3 articles about 1-(Diethoxymethyl)imidazole 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: 85.0%

1H-imidazole (288-32-4) + orthoformic acid triethyl ester (122-51-0) → 1-(diethoxymethyl)-1H-imidazole (61278-81-7)

Guidance literature:

With toluene-4-sulfonic acid; at 130 ℃; for 4h;

DOI:10.1016/j.tet.2006.11.032

Reference yield:

1H-imidazole (288-32-4) + n-butyllithium (109-72-8,29786-93-4) + 1-iodo-butane (542-69-8) + toluene-4-sulfonic acid (104-15-4) + orthoformic acid triethyl ester (122-51-0) → 1-(diethoxymethyl)-1H-imidazole (61278-81-7)

Guidance literature:

In tetrahydrofuran; hexane;

Reference yield:

→ 1-(diethoxymethyl)-1H-imidazole (61278-81-7)

Guidance literature:

DOI:10.1021/jo00427a012

upstream raw materials:

1H-imidazole

orthoformic acid triethyl ester

n-butyllithium

1-iodo-butane

Downstream raw materials:

(1H-imidazol-2-yl)(phenyl)methanol

2-(1-hydroxy-1-phenylethyl)-1H-imidazole

1-diethoxymethyl-2-phenylthioimidazole

2-(t-Butyldiphenylsilyl)-1H-imidazole