9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, propyl ester

Base Information

• Chemical Name: 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, propyl ester
• CAS No.: 119377-12-7
• Molecular Formula: C₂₀H₁₇N₃O₂
• Molecular Weight: 331.374
• DSSTox Substance ID: DTXSID80152430
• Nikkaji Number: J357.883F
• Wikidata: Q83019051
• Mol file: 119377-12-7.mol

Synonyms:BRN 4267172;9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, propyl ester;Propyl 1-(3-pyridinyl)-9H-pyrido(3,4-b)indole-3-carboxylate;119377-12-7;DTXSID80152430;LS-133454;1-(3-Pyridyl)-beta-carboline-3-carboxylic acid propyl ester

Chemical Property of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, propyl ester

Chemical Property:

• Vapor Pressure: 2.09E-14mmHg at 25°C
• Melting Point: 178-179 °C(Solv: chloroform (67-66-3))
• Boiling Point: 601.1°Cat760mmHg
• PKA: 13.67±0.40(Predicted)
• Flash Point: 317.3°C
• PSA: 67.87000
• Density: 1.281g/cm³
• LogP: 4.34490
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 331.132076794
• Heavy Atom Count: 25
• Complexity: 472

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CN=CC=C4

Technology Process of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, propyl ester

There total 3 articles about 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(3-pyridinyl)-, propyl ester 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:

1-Pyridin-3-yl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid propyl ester (119377-09-2) → 1-Pyridin-3-yl-9H-β-carboline-3-carboxylic acid propyl ester (119377-12-7)

Guidance literature:

With potassium permanganate; In tetrahydrofuran; at 0 ℃; for 0.5h; Yield given;

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) → 1-Pyridin-3-yl-9H-β-carboline-3-carboxylic acid propyl ester (119377-12-7)

Guidance literature:

Multi-step reaction with 2 steps

1: p-toluenesulfonic acid / toluene / 8 h / Heating

2: KMnO₄ / tetrahydrofuran / 0.5 h / 0 °C

With potassium permanganate; toluene-4-sulfonic acid; In tetrahydrofuran; toluene;

Reference yield:

DL-tryptophan n-propyl ester (119377-07-0) → 1-Pyridin-3-yl-9H-β-carboline-3-carboxylic acid propyl ester (119377-12-7)

Guidance literature:

Multi-step reaction with 2 steps

1: p-toluenesulfonic acid / toluene / 8 h / Heating

2: KMnO₄ / tetrahydrofuran / 0.5 h / 0 °C

With potassium permanganate; toluene-4-sulfonic acid; In tetrahydrofuran; toluene;

upstream raw materials:

1-Pyridin-3-yl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid propyl ester

3-pyridinecarboxaldehyde

DL-tryptophan n-propyl ester