4H-Pyrrolo(1,2-a)benzimidazole, 2-(1,1-dimethylethyl)-4-(2-(4-morpholinyl)ethyl)-3-phenyl-, hydrochloride, hydrate (1:2:1)

Base Information

Chemical Name:4H-Pyrrolo(1,2-a)benzimidazole, 2-(1,1-dimethylethyl)-4-(2-(4-morpholinyl)ethyl)-3-phenyl-, hydrochloride, hydrate (1:2:1)
CAS No.:174657-58-0
Molecular Formula:C26H33Cl2N3O
Molecular Weight:474.4657
Hs Code.:
DSSTox Substance ID:DTXSID10169879

Synonyms:2-t-Butyl-4-(2-morpholinoethyl)-3-phenyl-4H-pyrrolo(1,2-a)benzimidazole 2HCl hydrate;4H-Pyrrolo(1,2-a)benzimidazole, 2-(1,1-dimethylethyl)-4-(2-(4-morpholinyl)ethyl)-3-phenyl-, hydrochloride, hydrate (1:2:1);174657-58-0;C26H31N3O.2ClH.H2O;DTXSID10169879;C26-H31-N3-O.2Cl-H.H2-O;LS-139157

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4H-Pyrrolo(1,2-a)benzimidazole, 2-(1,1-dimethylethyl)-4-(2-(4-morpholinyl)ethyl)-3-phenyl-, hydrochloride, hydrate (1:2:1)

Chemical Property:

Vapor Pressure:3.48E-12mmHg at 25°C
Boiling Point:550.9°C at 760 mmHg
Flash Point:287°C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:473.2000681
Heavy Atom Count:32
Complexity:563

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CN2C3=CC=CC=C3N(C2=C1C4=CC=CC=C4)CCN5CCOCC5.Cl.Cl

Technology Process of 4H-Pyrrolo(1,2-a)benzimidazole, 2-(1,1-dimethylethyl)-4-(2-(4-morpholinyl)ethyl)-3-phenyl-, hydrochloride, hydrate (1:2:1)

There total 4 articles about 4H-Pyrrolo(1,2-a)benzimidazole, 2-(1,1-dimethylethyl)-4-(2-(4-morpholinyl)ethyl)-3-phenyl-, hydrochloride, hydrate (1:2:1) 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: 89.2%

: 2-benzyl-1-(3,3-dimethyl-2-oxo-butyl)-3-(2-morpholin-4-yl-ethyl)-3H-benzoimidazol-1-ium; bromide

: 174657-58-0
2-tert-butyl-4-(2-morpholin-4-yl-ethyl)-3-phenyl-4H-benzo[d]pyrrolo[1,2-a]imidazole; compound with GENERIC INORGANIC NEUTRAL COMPONENT

Guidance literature:: In water; at 100 ℃; for 4h;
DOI:10.1007/BF02218921

Reference yield:

: 3240-94-6
N-(2-chlorethyl)morpholine

: 174657-58-0
2-tert-butyl-4-(2-morpholin-4-yl-ethyl)-3-phenyl-4H-benzo[d]pyrrolo[1,2-a]imidazole; compound with GENERIC INORGANIC NEUTRAL COMPONENT

Guidance literature:: Multi-step reaction with 3 steps

1: KOH / H₂O; acetone

2: 80 percent / 1 h / 80 - 85 °C

3: 89.2 percent / H₂O / 4 h / 100 °C

potassium hydroxide; In water; acetone; 1: Alkylation / 2: Alkylation / 3: Cyclization;
DOI:10.1007/BF02218921

Reference yield:

: 621-72-7
2-benzylbenzimidazole

: 174657-58-0
2-tert-butyl-4-(2-morpholin-4-yl-ethyl)-3-phenyl-4H-benzo[d]pyrrolo[1,2-a]imidazole; compound with GENERIC INORGANIC NEUTRAL COMPONENT

Guidance literature:: Multi-step reaction with 3 steps

1: KOH / H₂O; acetone

2: 80 percent / 1 h / 80 - 85 °C

3: 89.2 percent / H₂O / 4 h / 100 °C

potassium hydroxide; In water; acetone; 1: Alkylation / 2: Alkylation / 3: Cyclization;
DOI:10.1007/BF02218921