1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)

Base Information

• Chemical Name: 1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)
• CAS No.: 714273-83-3
• Molecular Formula: C8H12N2O
• Molecular Weight: 152.196
• Hs Code.: 2933290090
• Mol file: 714273-83-3.mol

Synonyms:1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI);

Chemical Property of 1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)

Chemical Property:

• Boiling Point: 338.876 °C at 760 mmHg
• PKA: 11.53±0.10(Predicted)
• Flash Point: 162.978 °C
• PSA: 45.75000
• Density: 1.092 g/cm³
• LogP: 1.51970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

5-tert-Butyl-1H-imidazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)

There total 10 articles about 1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI) 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: 89.0%

(4-(tert-butyl)-1H-imidazol-5-yl)methanol (51721-22-3) → 4-tert-butyl-1H-imidazole-5-carbaldehyde (714273-83-3)

Guidance literature:

With manganese(IV) oxide; In acetone; at 20 ℃; for 4h;

Reference yield: 87.0%

(5-(tert-butyl)-1H-imidazol-4-yl)methanol (51721-22-3) → 5-(tert-butyl)-1H-imidazole-4-carbaldehyde (714273-83-3)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 24h;

Reference yield: 60.0%

5-(tert-butyl)-1H-imidazole-4-carboxylic acid ethyl ester (51721-21-2) → 5-(tert-butyl)-1H-imidazole-4-carbaldehyde (714273-83-3)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -78 ℃; for 1.5h;

DOI:10.1021/acsmedchemlett.6b00046

upstream raw materials:

(4-(tert-butyl)-1H-imidazol-5-yl)methanol

ethyl pivaloylacetate

ethyl 4-(tert-butyl)-1H-imidazole-5-carboxylate

2-chloro-4,4-dimethyl-3-oxopentanoic acid ethyl ester

Downstream raw materials:

1-acetyl-3-{(Z)-1-[5-(tert-butyl)-1H-4-imidazolyl]methylidene}-2,5-piperazinedione

(3Z,6Z)-3-[[5-(1,1-dimethylethyl)-1H-imidazol-4-yl]methylene]-6-(phenylmethylene)piperazine-2,5-dione

3-{(Z)-1-[5-(tert-butyl)-1H-4-imidazolyl]methylidene}-6-[(Z)-1-phenylmethylidene]-2,5-piperazinedione trifluoroacetate

3-{(Z)-1-[5-(tert-butyl)-1H-4-imidazolyl]methylidene}-6-[(Z)-1-(2-methoxyphenyl)methylidene]-2,5-piperazinedione

Refernces

• 1、 -. "Preparation method of plinabulin intermediate imidazole formaldehyde compound". Paragraph 0112-0115; 0120-0121. . Retrieved 2020/11/09.
• 2、 -. "Plinabulin compound polycrystalline type and preparation method thereof". . . Retrieved 2017/08/31.