1-(3-Hydroxypropyl)-1H-imidazole

Base Information

• Chemical Name: 1-(3-Hydroxypropyl)-1H-imidazole
• CAS No.: 51390-23-9
• Molecular Formula: C6H10N2O
• Molecular Weight: 126.158
• Hs Code.: 2933290090
• European Community (EC) Number: 674-778-0
• DSSTox Substance ID: DTXSID10405704
• Nikkaji Number: J284.477J
• Wikidata: Q82210394
• Mol file: 51390-23-9.mol

Synonyms:1-(3-Hydroxypropyl)-1H-imidazole;51390-23-9;1H-Imidazole-1-propanol;3-(1h-imidazol-1-yl)propan-1-ol;3-imidazol-1-ylpropan-1-ol;3-imidazol-1-yl-propan-1-ol;3-(IMIDAZOL-1-YL)PROPAN-1-OL;MFCD03727256;SCHEMBL9001;1-(3-hydroxypropyl)imidazole;DTXSID10405704;RYZVYLGJZFNBND-UHFFFAOYSA-N;BCP30591;1-(3-hydroxy-prop-1-yl)-imidazole;AKOS009098357;FS-4608;FT-0691081;A18825;EN300-206269;Z425794726;1H-Imidazole-1-propanol pound>>3-(1h-imidazol-1-yl)propan-1-ol

Chemical Property of 1-(3-Hydroxypropyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 8.85E-05mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 326.3 °C at 760 mmHg
• PKA: 14.66±0.10(Predicted)
• Flash Point: 151.1 °C
• PSA: 38.05000
• Density: 1.11 g/cm³
• LogP: 0.26550
• Storage Temp.: 2-8°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 126.079312947
• Heavy Atom Count: 9
• Complexity: 77.5

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Hydroxypropyl)-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)CCCO

Technology Process of 1-(3-Hydroxypropyl)-1H-imidazole

There total 7 articles about 1-(3-Hydroxypropyl)-1H-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: 100.0%

3-imidazol-1-yl-propionic acid ethyl ester (24215-02-9) → 1-(3-hydroxypropyl)imidazole (51390-23-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 93.0%

methyl 3-(imidazol-1-yl)propionate (18999-46-7) → 1-(3-hydroxypropyl)imidazole (51390-23-9)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1016/j.bmcl.2005.12.074

Reference yield: 51.0%

1H-imidazole (288-32-4) + trimethylene carbonate (2453-03-4,31852-84-3) → 1-(3-hydroxypropyl)imidazole (51390-23-9)

Guidance literature:

In toluene; for 5h; Reflux;

DOI:10.1134/S1070428020120052

upstream raw materials:

Acetic acid 3-imidazol-1-yl-propyl ester

3-imidazol-1-yl-propionic acid ethyl ester

methyl 3-(imidazol-1-yl)propionate

1H-imidazole

Downstream raw materials:

4-[N-(3-bromophenyl)amino]-7-[3-(1H-imidazol-1-yl)propoxy]-6-nitroquinazoline

1-(4-aminomethyl-benzyl)-3-(3-imidazol-1-yl-propyl)-5-methyl-5-naphthalen-1-yl-imidazolidin-2,4-dione

4-[3-(3-imidazol-1-yl-propyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxo-imidazolidin-1-ylmethyl]-benzoic acid