2-Benzimidazolepropanol

Base Information

• Chemical Name: 2-Benzimidazolepropanol
• CAS No.: 2403-66-9
• Molecular Formula: C10H12N2O
• Molecular Weight: 176.218
• Hs Code.: 2933990090
• European Community (EC) Number: 219-290-7
• NSC Number: 62090
• UNII: 8LZ4PT9DUU
• DSSTox Substance ID: DTXSID40178777
• Nikkaji Number: J41.302J
• Wikidata: Q83049256
• ChEMBL ID: CHEMBL1714555
• Mol file: 2403-66-9.mol

Synonyms:2403-66-9;2-(3-Hydroxypropyl)benzimidazole;2-Benzimidazolepropanol;3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol;3-(1H-benzimidazol-2-yl)propan-1-ol;1H-Benzimidazole-2-propanol;2-(3-Hydroxypropyl)-benzimidazole;2-(Hydroxypropyl)-1H-benzimidazole;3-(2-Benzimidazolyl)propanol;3-(1H-1,3-benzodiazol-2-yl)propan-1-ol;EINECS 219-290-7;NSC 62090;8LZ4PT9DUU;BRN 0131721;3-(1H-Benzoimidazol-2-yl)-propan-1-ol;MFCD00022688;NSC-62090;5-23-11-00385 (Beilstein Handbook Reference);3-[2-Benzimidazolyl]propanol;3-benzimidazol-2-ylpropan-1-ol;NSC62090;UNII-8LZ4PT9DUU;MLS000710483;SCHEMBL902374;IFLab1_004113;CHEMBL1714555;WLN: T56 BM DNJ C3Q;DTXSID40178777;2-(3-hy-droxypropyl)benzimidazole;HMS1423K21;HMS2648I20;1H-Benzimidazole-2-(propan-1-ol);STK387482;2-(3-hydroxypropyl)-1h-benzimidazol;2-(3-hydroxypropyl)-1h-benzimidazole;3(1H-Benzimidazol-2-yl)propan-1-ol;AKOS000275465;2-(.gamma.-Hydroxypropyl)benzimidazole;FS-1189;SDCCGMLS-0065496.P001;3-(1H-benzimidazol-2-yl)-propan-1-ol;3-(1H-Benzoimidazol-2-yl)propan-1-ol;NCGC00245311-01;LS-33147;SMR000280250;3-(1H-Benzimidazol-2-yl)-1-propanol #;BB 0218035;CS-0037237;EU-0000333;FT-0634250;H0988;EN300-18343;W12742;A817053;SR-01000391061;SR-01000391061-1;Z57114953;F0346-2551;F0852-0100

Chemical Property of 2-Benzimidazolepropanol

Chemical Property:

• Vapor Pressure: 1.37E-08mmHg at 25°C
• Melting Point: 164 °C
• Refractive Index: 1.659
• Boiling Point: 442 °C at 760 mmHg
• Flash Point: 221.1 °C
• PSA: 48.91000
• Density: 1.241 g/cm³
• LogP: 1.48780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Hydroxypropyl)benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)CCCO

Technology Process of 2-Benzimidazolepropanol

There total 8 articles about 2-Benzimidazolepropanol 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: 84.0%

4-butanolide (96-48-0) + 1,2-diamino-benzene (95-54-5) → 2-(3-hydroxypropyl)benzimidazole (2403-66-9)

Guidance literature:

With hydrogenchloride; In water; for 2h; Heating;

DOI:10.1071/CH03012

Reference yield: 80.0%

4-hydroxybutanoic acid (591-81-1) + 1,2-diamino-benzene (95-54-5) → 2-(3-hydroxypropyl)benzimidazole (2403-66-9)

Guidance literature:

With tetrabutyl-ammonium chloride; In water; toluene; at 160 ℃; for 0.25h; Microwave irradiation;

DOI:10.5012/jkcs.2010.54.5.589

Reference yield: 50.0%

γ-chlorobutyric acid (627-00-9) + 1,2-diamino-benzene (95-54-5) → 2-(3-hydroxypropyl)benzimidazole (2403-66-9)

Guidance literature:

With hydrogenchloride; water; for 16h; Reflux;

DOI:10.1021/jm100073m

upstream raw materials:

4-butanolide

1,2-diamino-benzene

2(3H)-furanone

pyrographite

Downstream raw materials:

3-(1'-benzyl-1'H-benzimidazol-2'-yl)propan-1-ol

2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

3-(1-p-toluenesulfonyl-1H-benzo[d]imidazol-2-yl)propan-1-ol

3-(1-p-toluenesulfonyl-1H-benzo[d]imidazol-2-yl)propanal