Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester
• CAS No.: 74406-01-2
• Molecular Formula: C22H25 N3 O5
• Molecular Weight: 411.451
• DSSTox Substance ID: DTXSID00995927
• ChEMBL ID: CHEMBL115031

Synonyms:74406-01-2;Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester;CHEMBL115031;SCHEMBL11443026;DTXSID00995927;C22-H25-N3-O5;LS-37585;Methyl 2-hydroxy-5-{1-hydroxy-2-[4-(2-hydroxy-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}benzoate

Chemical Property of Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.344g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 411.17942091
• Heavy Atom Count: 30
• Complexity: 624

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)C(CN2CCC(CC2)N3C4=CC=CC=C4NC3=O)O)O

Technology Process of Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester

There total 2 articles about Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester 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:

methyl 5-<2-<4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidyl>acetyl>-2-hydroxybenzoate hydrochloride (76310-68-4) → methyl 5-<2-<4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl>-1-hydroxyethyl>-2-hydroxybenzoate (74406-01-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 0.5h;

DOI:10.1021/jm00135a017

Reference yield:

→ methyl 5-<2-<4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl>-1-hydroxyethyl>-2-hydroxybenzoate (74406-01-2)

Guidance literature:

Reference yield:

methyl 5-<2-<4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl>-1-hydroxyethyl>-2-hydroxybenzoate (74406-01-2) → 5-<2-<4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl>-1-hydroxyethyl>-2-hydroxybenzamide

Guidance literature:

With ammonia; sodium methylate; In methanol; at 25 ℃;

DOI:10.1021/jm00135a017

upstream raw materials:

methyl 5-<2-<4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidyl>acetyl>-2-hydroxybenzoate hydrochloride

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