4,5,6,7-Tetrahydro-1H-benzo[d]imidazole

Base Information

• Chemical Name: 4,5,6,7-Tetrahydro-1H-benzo[d]imidazole
• CAS No.: 3752-24-7
• Molecular Formula: C7H10N2
• Molecular Weight: 122.17
• Hs Code.: 2933990090
• European Community (EC) Number: 823-637-3
• NSC Number: 195331
• DSSTox Substance ID: DTXSID70958605
• Wikidata: Q82939131
• Mol file: 3752-24-7.mol

Synonyms:3752-24-7;4,5,6,7-Tetrahydro-1H-benzo[d]imidazole;4,5,6,7-Tetrahydro-1H-benzoimidazole;4,5,6,7-tetrahydro-1H-benzimidazole;4,5,6,7-tetrahydrobenzimidazole;1H-benzimidazole, 4,5,6,7-tetrahydro-;4,5,6,7-tetrahydro-1H-1,3-benzodiazole;MFCD00829762;NSC195331;SCHEMBL234731;F3055-0232;SCHEMBL3027234;DTXSID70958605;KAWYASGZISVRAL-UHFFFAOYSA-N;4,5,6,7-tetrahydro-benzimidazole;STL227702;AKOS000267868;AKOS025394659;CS-W005503;NSC-195331;DS-12306;SY034656;FT-0652092;FT-0652333;EC-000.1514;VU0421889-2;EN300-120423;A823723;A874080;J-014765;Z1198155272

Chemical Property of 4,5,6,7-Tetrahydro-1H-benzo[d]imidazole

Chemical Property:

• Vapor Pressure: 0.00024mmHg at 25°C
• Melting Point: 150 °C
• Refractive Index: 1.573
• Boiling Point: 335 °C at 760 mmHg
• PKA: 15.15±0.20(Predicted)
• Flash Point: 183.6 °C
• PSA: 28.68000
• Density: 1.133 g/cm³
• LogP: 1.28850
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 122.084398327
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

98%min ^*data from raw suppliers

4,5-Tetramethyleneimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)NC=N2
• Uses: 4,5-Tetramethyleneimidazole is a useful reactant for preparation of imidazolylnitroquinoxalinedione.

Technology Process of 4,5,6,7-Tetrahydro-1H-benzo[d]imidazole

There total 9 articles about 4,5,6,7-Tetrahydro-1H-benzo[d]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: 97.0%

benzoimidazole (51-17-2,79351-71-6) → 4,5,6,7-tetrahydro-1H-benzimidazole (3752-24-7)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; at 95 - 100 ℃; for 28h; under 3878.61 Torr;

DOI:10.1021/ol036403w

Reference yield: 61.0%

2-Chlorocyclohexanone (822-87-7) → 4,5,6,7-tetrahydro-1H-benzimidazole (3752-24-7)

Guidance literature:

In water; formamide;

Reference yield: 61.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + 2-Chlorocyclohexanone (822-87-7) → 4,5,6,7-tetrahydro-1H-benzimidazole (3752-24-7)

Guidance literature:

formamide; 2-Chlorocyclohexanone; at 170 ℃; for 4.5h;

With sodium hydroxide; In water;

upstream raw materials:

benzoimidazole

formamide

2-Chlorocyclohexanone

formaldehyd

Downstream raw materials:

4-(4,5,6,7-tetrahydro-benzoimidazol-1-yl)-3-trifluoromethyl-benzonitrile

C₁₅H₁₆N₂O

(1-allyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-yl)[4-methylphenyl]methanone

4-(4,5,6,7-tetrahydro-1H-benzimidazol-1-yl)benzaldehyde

Refernces

• 1、 -. "METALLOENZYME INHIBITOR COMPOUNDS". Paragraph 0793; 0794; 0795. . Retrieved 2018/07/29.
• 2、 -. "NOVEL HETEROARYL DERIVATIVE". . . Retrieved 2008/06/13.