N-[4-Methyl-9-(1-methylethyl)-9H-carbazol-3-YL]-4-morpholinecarboxamide

Base Information

• Chemical Name: N-[4-Methyl-9-(1-methylethyl)-9H-carbazol-3-YL]-4-morpholinecarboxamide
• CAS No.: 439861-56-0
• Molecular Formula: C21H25N3O2
• Molecular Weight: 351.44200
• DSSTox Substance ID: DTXSID30432395
• Nikkaji Number: J2.075.858I
• Wikidata: Q82246460
• Pharos Ligand ID: BMQ21LQCRMMY
• ChEMBL ID: CHEMBL325226
• Mol file: 439861-56-0.mol

Synonyms:N-(9-isopropyl-4-methyl-9H-carbazol-3-yl)morpholine-4-carboxamide;NPY5RA 972;NPY5RA-972;NPY5RA972

Chemical Property of N-[4-Methyl-9-(1-methylethyl)-9H-carbazol-3-YL]-4-morpholinecarboxamide

Chemical Property:

• PSA: 49.99000
• LogP: 4.49940
• Storage Temp.: Store at RT
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 351.19467705
• Heavy Atom Count: 26
• Complexity: 506

Purity/Quality:

99% ^*data from raw suppliers

NPY 5RA972 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC2=C1C3=CC=CC=C3N2C(C)C)NC(=O)N4CCOCC4
• Uses: NPY 5RA972 is a potent antagonist of the neuropeptide Y5 receptor.

Technology Process of N-[4-Methyl-9-(1-methylethyl)-9H-carbazol-3-YL]-4-morpholinecarboxamide

There total 5 articles about N-[4-Methyl-9-(1-methylethyl)-9H-carbazol-3-YL]-4-morpholinecarboxamide 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: 83.0%

morpholine (110-91-8,99108-56-2) + carbon monoxide (201230-82-2) + 9-isopropyl-4-methyl-9H-carbazol-3-ylamine (439863-46-4) → morpholine-4-carboxylic acid (9-isopropyl-4-methyl-9H-carbazol-3-yl)amide (439861-56-0)

Guidance literature:

With oxygen; potassium iodide; palladium(II) iodide; In 1,2-dimethoxyethane; at 100 ℃; for 24h; under 15200 Torr;

DOI:10.1021/jo0494634

Reference yield: 71.0%

morpholine carbamoyl chloride + 9-isopropyl-4-methyl-9H-carbazol-3-ylamine (439863-46-4) → morpholine-4-carboxylic acid (9-isopropyl-4-methyl-9H-carbazol-3-yl)amide (439861-56-0)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1021/jm011125x

Reference yield:

3-Nitro-carbazol (3077-85-8) → morpholine-4-carboxylic acid (9-isopropyl-4-methyl-9H-carbazol-3-yl)amide (439861-56-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 79 percent / NaH / dimethylformamide / 18 h / 60 °C

2.1: tetrahydrofuran / -15 °C

2.2: 79 percent / DDQ / tetrahydrofuran / -10 - 20 °C

3.1: 90 percent / H₂ / 10percent Pd/C / ethyl acetate

4.1: 71 percent / Et₃N / CH₂Cl₂

With hydrogen; sodium hydride; triethylamine; 10percent Pd/C; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm011125x

upstream raw materials:

9-isopropyl-4-methyl-9H-carbazol-3-ylamine

morpholine

carbon monoxide

3-Nitro-carbazol

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