trans-3,4-Dihydro-6-[4-[1-[4-(phenylmethoxy)cyclohexyl]-1H-tetrazol-5-YL]butoxy]-2(1H)-quinolinone

Base Information

• Chemical Name: trans-3,4-Dihydro-6-[4-[1-[4-(phenylmethoxy)cyclohexyl]-1H-tetrazol-5-YL]butoxy]-2(1H)-quinolinone
• CAS No.: 87152-97-4
• Molecular Formula: C27H33N5O3
• Molecular Weight: 475.591
• DSSTox Substance ID: DTXSID70534423
• Mol file: 87152-97-4.mol

Synonyms:87152-97-4;TRANS-3,4-DIHYDRO-6-[4-[1-[4-(PHENYLMETHOXY)CYCLOHEXYL]-1H-TETRAZOL-5-YL]BUTOXY]-2(1H)-QUINOLINONE;6-[4-[1-(4-phenylmethoxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;DTXSID70534423;AKOS030242968;6-(4-{1-[4-(Benzyloxy)cyclohexyl]-1H-tetrazol-5-yl}butoxy)-3,4-dihydroquinolin-2(1H)-one

Chemical Property of trans-3,4-Dihydro-6-[4-[1-[4-(phenylmethoxy)cyclohexyl]-1H-tetrazol-5-YL]butoxy]-2(1H)-quinolinone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 740.76°C at 760 mmHg
• PKA: 14.22±0.20(Predicted)
• Flash Point: 401.798°C
• PSA: 91.16000
• Density: 1.306g/cm³
• LogP: 4.79800
• Solubility.: Chloroform, Dichloromethane
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 475.25833993
• Heavy Atom Count: 35
• Complexity: 653

Purity/Quality:

95% ^*data from raw suppliers

trans-3,4-Dihydro-6-[4-[1-[4-(phenylmethoxy)cyclohexyl]-1H-tetrazol-5-yl]butoxy]-2(1H)-quinolinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4)OCC5=CC=CC=C5
• Uses: 2-Oxoquinoline derivative as blood platelet aggregation inhibitors. Intermediate of OPC-13013, a metabolite of Cilostazol 2-Oxoquinoline derivative as blood platelet aggregation inhibitors. Intermediate of OPC-13013, a metabolite of Cilostazol.

Technology Process of trans-3,4-Dihydro-6-[4-[1-[4-(phenylmethoxy)cyclohexyl]-1H-tetrazol-5-YL]butoxy]-2(1H)-quinolinone

There total 1 articles about trans-3,4-Dihydro-6-[4-[1-[4-(phenylmethoxy)cyclohexyl]-1H-tetrazol-5-YL]butoxy]-2(1H)-quinolinone 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: 74.0%

3,4-dihydro-6-hydroxy-2(1H)-quinolinone (54197-66-9) + 1-(trans-4-benzyloxycyclohexyl)-5-(4-chlorobutyl)-1H-tetrazole (98454-50-3) → 6-(4-<1-(trans-4-benzyloxycyclohexyl)-1H-5-tetrazolyl>butoxy)-2-oxo-1,2,3,4-tetrahydroquinoline (87152-97-4)

Guidance literature:

With potassium hydroxide; In isopropyl alcohol; for 18h; Heating;

DOI:10.1248/cpb.33.1140

Reference yield: 93.0%

6-(4-<1-(trans-4-benzyloxycyclohexyl)-1H-5-tetrazolyl>butoxy)-2-oxo-1,2,3,4-tetrahydroquinoline (87152-97-4) → OPC 13213 (87153-04-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; acetic acid; at 60 - 70 ℃; for 8h; under 1140 - 1520 Torr;

DOI:10.1248/cpb.33.1140

upstream raw materials:

3,4-dihydro-6-hydroxy-2(1H)-quinolinone

1-(trans-4-benzyloxycyclohexyl)-5-(4-chlorobutyl)-1H-tetrazole

Downstream raw materials:

OPC 13213

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