1,3-Bis(1H-benzo[d]imidazol-2-yl)propane

Base Information

• Chemical Name: 1,3-Bis(1H-benzo[d]imidazol-2-yl)propane
• CAS No.: 7147-66-2
• Molecular Formula: C17H16N4
• Molecular Weight: 276.341
• Hs Code.: 2933990090
• NSC Number: 52103
• DSSTox Substance ID: DTXSID80287675
• Nikkaji Number: J1.001.367D
• Wikidata: Q82023785
• ChEMBL ID: CHEMBL1718800
• Mol file: 7147-66-2.mol

Synonyms:1,3-Bis(1H-benzo[d]imidazol-2-yl)propane;7147-66-2;2-[3-(1H-benzimidazol-2-yl)propyl]-1H-benzimidazole;2,2'-propane-1,3-diylbis(1h-benzimidazole);NSC52103;2-(3-benzimidazol-2-ylpropyl)benzimidazole;TimTec1_001388;Oprea1_751941;Oprea1_792780;MLS001203636;SCHEMBL7854448;CHEMBL1718800;DTXSID80287675;HMS1537P02;HMS2844P14;1,3-bis-(2-benzimidazolyl)propane;NSC-52103;STL163372;AKOS000276275;CCG-103333;SMR000505029;BB 0241980;CS-0322573;2,2'-(Propane-1,3-diyl)bis(1H-benzimidazole);SR-01000391056;SR-01000391056-1;BRD-K68521225-001-01-6;Z56779142;2-[3-(1H-1,3-BENZODIAZOL-2-YL)PROPYL]-1H-1,3-BENZODIAZOLE

Chemical Property of 1,3-Bis(1H-benzo[d]imidazol-2-yl)propane

Chemical Property:

• Boiling Point: 630.1oC at 760 mmHg
• Flash Point: 297.8oC
• PSA: 57.36000
• Density: 1.311g/cm3
• LogP: 3.61450
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 276.137496527
• Heavy Atom Count: 21
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

1,3-Bis(1H-benzo[d]imidazol-2-yl)propane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)CCCC3=NC4=CC=CC=C4N3

Technology Process of 1,3-Bis(1H-benzo[d]imidazol-2-yl)propane

There total 4 articles about 1,3-Bis(1H-benzo[d]imidazol-2-yl)propane 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: 98.0%

1,5-pentanedioic acid (110-94-1) + 1,2-diamino-benzene (95-54-5) → 2,2'-(1,3-propanediyl)bis(1H-benzimidazole) (7147-66-2)

Guidance literature:

With tetrafluoroboric acid; In water; at 150 ℃; for 2h;

DOI:10.3998/ark.5550190.0011.908

Reference yield: 68.0%

Glutaraldehyde (111-30-8,29257-65-6,79215-57-9) + 1,2-diamino-benzene (95-54-5) → 2,2'-(1,3-propanediyl)bis(1H-benzimidazole) (7147-66-2)

Guidance literature:

With silica supported nano-copper (II) oxide; In methanol; at 20 ℃; for 14h;

DOI:10.1016/j.tetlet.2012.11.091

Reference yield:

Dimethyl glutarate (1119-40-0) + 1,2-diamino-benzene (95-54-5) → 2,2'-(1,3-propanediyl)bis(1H-benzimidazole) (7147-66-2)

Guidance literature:

upstream raw materials:

1,5-pentanedioic acid

1,2-diamino-benzene

Dimethyl glutarate

Glutaraldehyde

Downstream raw materials:

C₂₃H₂₆N₄O₂

1-(pyridin-2-ylmethyl)-2-(3-(1-(pyridin-2-ylmethyl)benzimidazol-2-yl)propyl)benzimidazole

Refernces

• 1、 Ersan, Ronak Haj,Alagoz, Mehmet Abdullah,Ertan-Bolelli, Tugba,Duran, Nizami,Burmaoglu, Serdar,Algul, Oztekin. "Head-to-head bisbenzazole derivatives as antiproliferative agents: design, synthesis, in vitro activity, and SAR analysis". . p. 2247 - 2259. Retrieved 2020/06/27.
• 2、 Mukhopadhyay, Chhanda,Ghosh, Sabari,Butcher, Ray J.. "An efficient and versatile synthesis of 2, 2′-(alkanediyl)-bis-1H- benzimidazoles employing aqueous fluoroboric acid as catalyst: Density functional theory calculations and fluorescence studies". experimental part. p. 75 - 96. Retrieved 2010/10/02.