1-Benzyl-1H-imidazole-2-carbaldehyde

Base Information

• Chemical Name: 1-Benzyl-1H-imidazole-2-carbaldehyde
• CAS No.: 10045-65-5
• Molecular Formula: C11H10 N2 O
• Molecular Weight: 186.213
• Hs Code.: 2933290090
• European Community (EC) Number: 851-455-4
• NSC Number: 217911
• DSSTox Substance ID: DTXSID30143297
• Nikkaji Number: J99.524J
• Wikidata: Q83007092
• Mol file: 10045-65-5.mol

Synonyms:1-Benzyl-1H-imidazole-2-carbaldehyde;10045-65-5;1-benzylimidazole-2-carbaldehyde;1H-Imidazole-2-carboxaldehyde, 1-(phenylmethyl)-;1-Benzyl-2-formylimidazole;Imidazole-2-carboxaldehyde, 1-benzyl-;1-Benzylimidazole-2-carboxaldehyde;NSC217911;SCHEMBL1240881;1-benzyl-2-imidazolecarbaldehyde;DTXSID30143297;1-benzyl imidazole-2-carbaldehyde;BBL036953;MFCD00088667;STL411854;AKOS002677553;1-benzyl-1 h-imidazole-2-carbaldehyde;NSC 217911;NSC-217911;1-benzyl-1h-imidazole-2-carboxaldehyde;1-Benzyl-1 H -imidazole-2-carbaldehyde;1-Benzyl-1H-imidazole-2-carbaldehyde #;1-Benzyl-1-H-imidazole-2-carboxaldehyde;VS-13792;CS-0216805;FT-0683978;EN300-61390;J-000139;Z57161016;F2101-0216

Chemical Property of 1-Benzyl-1H-imidazole-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 4.15E-06mmHg at 25°C
• Boiling Point: 384.2°Cat760mmHg
• Flash Point: 186.2°C
• PSA: 34.89000
• Density: 1.12g/cm³
• LogP: 1.74390
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

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

1-Benzyl-1H-imidazole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=CN=C2C=O

Technology Process of 1-Benzyl-1H-imidazole-2-carbaldehyde

There total 8 articles about 1-Benzyl-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: 95.0%

benzyl bromide (100-39-0) + 2-imidazolecarbaldehyde (10111-08-7) → N-benzylimidazole-2-carboxaldehyde (10045-65-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 0 - 40 ℃;

Reference yield: 86.0%

1-benzylimidazole (4238-71-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N-benzylimidazole-2-carboxaldehyde (10045-65-5)

Guidance literature:

1-benzylimidazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/poc.3784

Reference yield: 75.1%

1H-imidazole (288-32-4) + benzyl bromide (100-39-0) → N-benzylimidazole-2-carboxaldehyde (10045-65-5)

Guidance literature:

1H-imidazole; With potassium hydroxide; In acetone; for 2h;

benzyl bromide; In acetone;

upstream raw materials:

1-benzylimidazole

N,N-dimethyl-formamide

benzyl bromide

2-imidazolecarbaldehyde

Downstream raw materials:

1-(1-benzyl-1H-imidazol-2-yl)-3-[1,3]dioxolan-2-yl-propan-1-ol

C₁₂H₁₄N₆S

Diethyl-1-benzyl-2-imidazolyl-methylensuccinat

2-(tert-butyldimethylsiloxy)-2-(1-benzyl-imidazolyl)acetonitrile

Refernces

• 1、 Primoi, Ines,Hrenar, Tomica,Baumann, Kreimir,Krito, Lucija,Krii, Ivana,Tomi, Srdlanka. "Mechanochemical and conformational study of N-heterocyclic carbonyl-oxime transformations". . p. 153 - 160. Retrieved 2015/02/19.
• 2、 Od?ak, Renata,Sko?ibu?i?, Mirjana,Maravi?, Ana. "Synthesis and antimicrobial profile of N-substituted imidazolium oximes and their monoquaternary salts against multidrug resistant bacteria". . p. 7499 - 7506. Retrieved 2013/11/19.