2-(4-isopropylphenyl)-N~4~-(2-morpholinoethyl)-4-quinolinecarboxamide

Base Information

• Chemical Name: 2-(4-isopropylphenyl)-N~4~-(2-morpholinoethyl)-4-quinolinecarboxamide
• CAS No.: 6132-10-1
• Molecular Formula: C19H26 O3
• Molecular Weight: 302.414
• DSSTox Substance ID: DTXSID50361991
• Wikidata: Q82144669
• Mol file: 6132-10-1.mol

Synonyms:CBMicro_046977;ST50928990;Oprea1_109358;DTXSID50361991;STK423554;AKOS003271653;BIM-0046765.P001;SR-01000447132;SR-01000447132-1;2-(4-isopropylphenyl)-N~4~-(2-morpholinoethyl)-4-quinolinecarboxamide;N-[2-(morpholin-4-yl)ethyl]-2-[4-(propan-2-yl)phenyl]quinoline-4-carboxamide

Chemical Property of 2-(4-isopropylphenyl)-N~4~-(2-morpholinoethyl)-4-quinolinecarboxamide

Chemical Property:

• Vapor Pressure: 4.95E-11mmHg at 25°C
• Melting Point: 189 °C
• Boiling Point: 475.3°C at 760 mmHg
• PKA: 12.96±0.60(Predicted)
• Flash Point: 255.4°C
• PSA: 57.95000
• Density: 1.19g/cm³
• LogP: 4.59990
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 403.22597718
• Heavy Atom Count: 30
• Complexity: 541

Purity/Quality:

98% ^*data from raw suppliers

16-KETOTESTOSTERONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4

Technology Process of 2-(4-isopropylphenyl)-N~4~-(2-morpholinoethyl)-4-quinolinecarboxamide

There total 6 articles about 2-(4-isopropylphenyl)-N~4~-(2-morpholinoethyl)-4-quinolinecarboxamide 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%

[3H]-16-alpha-Hydroxyandrostenedione (63-02-5) → Androstenedione (63-05-8) + Androst-4-en-3,16-dion (571-52-8) + 16-Keto-testosterone (6132-10-1)

Guidance literature:

With trimethylsilyl iodide; In chloroform; for 8h; Yield given; Title compound not separated from byproducts; Ambient temperature;

DOI:10.1248/cpb.46.1857

Reference yield: 4.0%

Androstenedione (63-05-8) → 2β-hydroxyandrost-4-ene-3,17-dione (571-16-4) + 16-Keto-testosterone (6132-10-1)

Guidance literature:

With fungus Gnomonia fructicola; In ethanol; at 24 - 26 ℃; for 120h;

DOI:10.1139/v89-044

Reference yield: 2.0%

Androstenedione (63-05-8) → testosterone (58-22-0) + 5α-androst-3,6,17-trione (2243-05-2) + 15α-hydroxyandrost-4-ene-3,17-dione (566-08-5) + 6β-hydroxytestosterone (62-99-7,2944-87-8,34096-63-4,34442-08-5,145772-79-8) + 6β-hydroxy-4-androstene-3,17-dione (63-00-3) + 16-Keto-testosterone (6132-10-1) + 6β,17β-dihydroxy-4-androstene-3,16-dione

Guidance literature:

With D-glucose; peptone; In water; for 120h; Microbiological reaction;

DOI:10.1080/10242422.2019.1604690

upstream raw materials:

Androstenedione

[3H]-16-alpha-Hydroxyandrostenedione

Downstream raw materials:

Androstenedione

Androst-4-en-3,16-dion

Refernces

• 1、 Nagaoka, Masao,Nagasawa, Etsuko,Numazawa, Mitsuteru. "Deoxygenation of steroidal ring-D 16,17-ketols with trimethylsilyl iodide". . p. 1857 - 1861. Retrieved 2007/10/03.
• 2、 Yamashita,Shibata,Yamakoshi,et al.. "Microbil 16β Hydroxylation of steroids with Aspergillus niger". . p. 505 - 509. Retrieved 2007/10/12.