1-Propyl-1H-imidazole-4-carbaldehyde

Base Information

• Chemical Name: 1-Propyl-1H-imidazole-4-carbaldehyde
• CAS No.: 199192-04-6
• Molecular Formula: C7H10N2O
• Molecular Weight: 138.16700
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID70438457
• Mol file: 199192-04-6.mol

Synonyms:1-Propyl-1H-imidazole-4-carbaldehyde;199192-04-6;1-propylimidazole-4-carbaldehyde;1H-Imidazole-4-carboxaldehyde,1-propyl-(9CI);SCHEMBL3910931;DTXSID70438457;VLWJUYLXFWFDSW-UHFFFAOYSA-N;ZHA19204;BMS566394;MFCD06797720;AKOS006285276;DS-2548;1-propyl-1H-Imidazole-4-carboxaldehyde;1-n-Propyl-1H-imidazole-4-carboxaldehyde;CS-0210897;FT-0769381;A879933

Chemical Property of 1-Propyl-1H-imidazole-4-carbaldehyde

Chemical Property:

• PSA: 34.89000
• LogP: 1.10560
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 138.079312947
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

1-Propyl-1H-imidazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C=C(N=C1)C=O

Technology Process of 1-Propyl-1H-imidazole-4-carbaldehyde

There total 10 articles about 1-Propyl-1H-imidazole-4-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: 62.0%

1-iodo-propane (107-08-4) + 4(5)formylimidazole (3034-50-2) → 1-n-Propyl-1H-imidazole-4-carboxaldehyde (199192-04-6)

Guidance literature:

4⁽⁵⁾formylimidazole; With sodium hydride; In tetrahydrofuran; for 2h; Heating;

1-iodo-propane; In tetrahydrofuran;

DOI:10.1016/j.bmc.2004.10.021

Reference yield: 47.0%

ammonium chloride + propyl bromide (106-94-5) + 4(5)formylimidazole (3034-50-2) → 1-n-Propyl-1H-imidazole-4-carboxaldehyde (199192-04-6)

Guidance literature:

In tetrahydrofuran; mineral oil;

Reference yield: 47.0%

propyl bromide (106-94-5) + 4(5)formylimidazole (3034-50-2) → 1-n-Propyl-1H-imidazole-4-carboxaldehyde (199192-04-6)

Guidance literature:

With 18-crown-6 ether; sodium hydride; In tetrahydrofuran; for 18h; Heating;

DOI:10.1021/jm0702433

upstream raw materials:

1-(3-bromopropyl)-1H-4-imidazolecarbaldehyde

1-iodo-propane

4⁽⁵⁾formylimidazole

propyl bromide

Downstream raw materials:

(1-propyl-1H-imidazol-4-yl)methanol

2-[Hydroxy(1-propyl-1H-imidazol-4-yl)methyl]-4-(4-methoxybenzyl)-3-morpholinone

7-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-({4-[(1-propyl-1H-imidazol-4-yl)methyl]sulfanyl}phenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

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