3-(1-(2-(4-Chlorophenyl)-2-hydroxyethyl)-4-piperidinyl)-3,4-Dihydro-2(1H)-quinazolinone

Base Information

• Chemical Name: 3-(1-(2-(4-Chlorophenyl)-2-hydroxyethyl)-4-piperidinyl)-3,4-Dihydro-2(1H)-quinazolinone
• CAS No.: 79106-45-9
• Molecular Formula: C21H24ClN3O2
• Molecular Weight: 385.8872
• DSSTox Substance ID: DTXSID901000266
• Mol file: 79106-45-9.mol

Synonyms:KF 5908;79106-45-9;1-(2-(4-Chlorophenyl)-2-hydroxyethyl)-4-(3,4-dihydro-2(1H)-quinazolinon-3-yl)piperidine;2(1H)-Quinazolinone, 3,4-dihydro-3-(1-(2-(4-chlorophenyl)-2-hydroxyethyl)-4-piperidinyl)-;3-(1-(2-(4-Chlorophenyl)-2-hydroxyethyl)-4-piperidinyl)-3,4-Dihydro-2(1H)-quinazolinone;3-{1-[2-(4-Chlorophenyl)-2-hydroxyethyl]-4-piperidinyl}-3,4-dihydro-2(1H)-quinazolinone;SCHEMBL11108153;ORFSHJLTINQEGN-UHFFFAOYSA-N;DTXSID901000266;LS-140727;1-[2-(4-Chlorophenyl)-2-hydroxyethyl]-4-[3,4-dihydro-2(1H)-quinazolinon-3-yl]-piperidine;3-{1-[2-(4-Chlorophenyl)-2-hydroxyethyl]piperidin-4-yl}-3,4-dihydroquinazolin-2-ol

Chemical Property of 3-(1-(2-(4-Chlorophenyl)-2-hydroxyethyl)-4-piperidinyl)-3,4-Dihydro-2(1H)-quinazolinone

Chemical Property:

• Vapor Pressure: 4.71E-16mmHg at 25°C
• Boiling Point: 616.4°Cat760mmHg
• Flash Point: 326.6°C
• Density: 1.288g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 385.1557047
• Heavy Atom Count: 27
• Complexity: 504

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1N2CC3=CC=CC=C3NC2=O)CC(C4=CC=C(C=C4)Cl)O

Technology Process of 3-(1-(2-(4-Chlorophenyl)-2-hydroxyethyl)-4-piperidinyl)-3,4-Dihydro-2(1H)-quinazolinone

There total 7 articles about 3-(1-(2-(4-Chlorophenyl)-2-hydroxyethyl)-4-piperidinyl)-3,4-Dihydro-2(1H)-quinazolinone 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: 58.9%

1-<2-oxo-2-(4-chlorophenyl)ethyl>-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine (79106-41-5) → 1-<2-(4-chlorophenyl)-2-hydroxyethyl>-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine (79106-45-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 5h; Ambient temperature;

DOI:10.1248/cpb.33.1116

Reference yield:

1-benzyl-4-amino-piperidine dihydrochloride (1205-72-7) → 1-<2-(4-chlorophenyl)-2-hydroxyethyl>-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine (79106-45-9)

Guidance literature:

Multi-step reaction with 6 steps

1: 1) TEA; 2) NaBH₄ / 1) room temp., 1 h; 2) room temp. 2h

2: 46.4 percent / hydrogen / 10percent Pd-C / H₂O / Ambient temperature

3: 54.5 percent / TEA / acetonitrile / 4 h / Ambient temperature

4: 83.1 percent / hydrogen, 1 N aq.HCl / 10percent Pd-C / methanol / 5 h / 40 °C

5: 55.8 percent / TEA / methanol / Ambient temperature

6: 58.9 percent / NaBH₄ / methanol / 5 h / Ambient temperature

With hydrogenchloride; sodium tetrahydroborate; TEA; hydrogen; palladium on activated charcoal; In methanol; water; acetonitrile;

DOI:10.1248/cpb.33.1116

Reference yield:

1-benzyl-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine (79098-88-7) → 1-<2-(4-chlorophenyl)-2-hydroxyethyl>-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine (79106-45-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 83.1 percent / hydrogen, 1 N aq.HCl / 10percent Pd-C / methanol / 5 h / 40 °C

2: 55.8 percent / TEA / methanol / Ambient temperature

3: 58.9 percent / NaBH₄ / methanol / 5 h / Ambient temperature

With hydrogenchloride; sodium tetrahydroborate; TEA; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1248/cpb.33.1116

upstream raw materials:

1-<2-oxo-2-(4-chlorophenyl)ethyl>-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine

1-benzyl-4-amino-piperidine dihydrochloride

3-(4-piperidinyl)-1,2,3,4-tetrahydro-2-oxo-3-quinazoline hydrochloride

1-benzyl-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine