3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid

Base Information

Chemical Name:3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid
CAS No.:76894-78-5
Molecular Formula:C₁₈H₂₁N₃O₂
Molecular Weight:311.384
Hs Code.:
ChEMBL ID:CHEMBL114672
DSSTox Substance ID:DTXSID601151945
Pharos Ligand ID:4D55NGNRHKL7

Synonyms:CHEMBL114672;DTXSID601151945;3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid;BDBM50022118;76894-78-5;3-(1H-Imidazol-1-ylmethyl)-2-(1-methylethyl)-1H-indole-1-propanoic acid

Suppliers and Price of 3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid

Supply Marketing:

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

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Chemical Property of 3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:311.16337692
Heavy Atom Count:23
Complexity:415

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C1=C(C2=CC=CC=C2N1CCC(=O)O)CN3C=CN=C3

Technology Process of 3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid

There total 2 articles about 3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid 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: 37.0%

: 76894-91-2
1-(2-Cyanoethyl)-2-isopropyl-3-(1-imidazolylmethyl)indole

: 76894-78-5
3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 4h; Heating;
DOI:10.1021/jm00153a007

Reference yield:

: 72818-36-1
UK-34787

: 76894-78-5
3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / PhCH₂NMe₃OH / dioxane; methanol / 0.5 h / 50 - 60 °C

2: 37 percent / aq. KOH / ethanol / 4 h / Heating

With potassium hydroxide; N-benzyl-trimethylammonium hydroxide; In 1,4-dioxane; methanol; ethanol;
DOI:10.1021/jm00153a007