N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide

Base Information

• Chemical Name: N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide
• CAS No.: 606101-83-1
• Molecular Formula: C22H22N4O2
• Molecular Weight: 374.442
• DSSTox Substance ID: DTXSID70390480
• Pharos Ligand ID: 9NYZK96YBFGL
• ChEMBL ID: CHEMBL2018574
• Mol file: 606101-83-1.mol

Synonyms:606101-83-1;CoPo 22;ASN 06744166;N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide;CHEMBL2018574;N-(2-((3-Cyano-5,7-dimethylquinolin-2-yl)amino)ethyl)-3-methoxybenzamide;Benzamide, N-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-methoxy- (9CI);HMS1705K09;MLS003674353;SCHEMBL14125564;DTXSID70390480;TZGJSWWPNARXQC-UHFFFAOYSA-N;BDBM50289534;AKOS000688408;NCGC00386637-01;SMR002353823;E98734;N-(2-(3-cyano-5,7-dimethylquinolin-2-ylamino)ethyl)-3-methoxybenzamide;N-{2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl}-3-methoxybenzamide

Chemical Property of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide

Chemical Property:

• Boiling Point: 647.6±55.0°C at 760 mmHg (Cal.)
• Flash Point: 345.4±31.5°C (Cal.)
• PSA: 93.76000
• Density: 1.2±0.1g/cm3 (Cal.)
• LogP: 3.57048
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 374.17427596
• Heavy Atom Count: 28
• Complexity: 574

Purity/Quality:

99% ^*data from raw suppliers

BENZAMIDE, N-[2-[(3-CYANO-5,7-DIMETHYL-2-QUINOLINYL)AMINO]ETHYL]-3-METHOXY- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=O)C3=CC(=CC=C3)OC)C#N)C

Technology Process of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide

There total 5 articles about N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide 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: 73.0%

2-((2-aminoethyl)amino)-5,7-dimethylquinoline-3-carbonitrile (604754-35-0) + 3-Methoxybenzoic acid (586-38-9) → N-(2-((3-cyano-5,7-dimethylquinolin-2-yl)amino)ethyl)-3-methoxybenzamide (606101-83-1)

Guidance literature:

3-Methoxybenzoic acid; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

2-((2-aminoethyl)amino)-5,7-dimethylquinoline-3-carbonitrile; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1124/mol.111.073056

Reference yield:

3,5-dimethylaminoaniline (108-69-0) → N-(2-((3-cyano-5,7-dimethylquinolin-2-yl)amino)ethyl)-3-methoxybenzamide (606101-83-1)

Guidance literature:

Multi-step reaction with 5 steps

1.1: tetrahydrofuran / 0 - 20 °C / Inert atmosphere

1.2: pH 12 - 14 / Cooling with ice

2.1: trichlorophosphate / 2 h / Inert atmosphere; Reflux

2.2: 3 h / 20 °C

2.3: Cooling with ice

3.1: hydroxylamine hydrochloride; triethylamine / ethanol / 3 h / Reflux

3.3: 4 h / Inert atmosphere; Reflux

4.1: 1,4-dioxane / Reflux

5.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane; N,N-dimethyl-formamide / 0.5 h / 20 °C

With hydroxylamine hydrochloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trichlorophosphate; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1124/mol.111.073056

Reference yield:

2-chloro-5,7-dimethylquinoline-3-carbaldehyde (482639-32-7) → N-(2-((3-cyano-5,7-dimethylquinolin-2-yl)amino)ethyl)-3-methoxybenzamide (606101-83-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydroxylamine hydrochloride; triethylamine / ethanol / 3 h / Reflux

1.3: 4 h / Inert atmosphere; Reflux

2.1: 1,4-dioxane / Reflux

3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane; N,N-dimethyl-formamide / 0.5 h / 20 °C

With hydroxylamine hydrochloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In 1,4-dioxane; ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1124/mol.111.073056

upstream raw materials:

2-chloro-5,7-dimethylquinoline-3-carbaldehyde

2-((2-aminoethyl)amino)-5,7-dimethylquinoline-3-carbonitrile

3-Methoxybenzoic acid

2-chloro-5,7-dimethylquinoline-3-carbonitrile

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 606101-83-1 Benzamide, N-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-methoxy- (9CI)

Send

Send

Metric Ton KG G Pound L ML

Send

Send