9H-Pyrido(3,4-b)indole, 3-carbamoyl-1-methyl-

Base Information

• Chemical Name: 9H-Pyrido(3,4-b)indole, 3-carbamoyl-1-methyl-
• CAS No.: 23256-12-4
• Molecular Formula: C₁₃H₁₁N₃O
• Molecular Weight: 225.25
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60177828
• Nikkaji Number: J51.362H
• Wikidata: Q83048178
• Mol file: 23256-12-4.mol

Synonyms:GPA 127;23256-12-4;9H-Pyrido(3,4-b)indole, 3-carbamoyl-1-methyl-;BRN 0748953;9H-Pyrido(3,4-b)indole-3-carboxamide, 1-methyl-;1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;9H-Pyrido[3,4-b]indole-3-carboxamide, 1-methyl-;methyl-b-carboline-3-carboxamide;DTXSID60177828;GPA-127;LS-133425

Chemical Property of 9H-Pyrido(3,4-b)indole, 3-carbamoyl-1-methyl-

Chemical Property:

• Vapor Pressure: 2.43E-10mmHg at 25°C
• Boiling Point: 505.4°Cat760mmHg
• Flash Point: 259.5°C
• PSA: 71.77000
• Density: 1.371g/cm³
• LogP: 2.82370
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 225.090211983
• Heavy Atom Count: 17
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

1-METHYL-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC(=N1)C(=O)N)C3=CC=CC=C3N2

Technology Process of 9H-Pyrido(3,4-b)indole, 3-carbamoyl-1-methyl-

There total 4 articles about 9H-Pyrido(3,4-b)indole, 3-carbamoyl-1-methyl- 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-methyl-β-carboline-3-carboxylic acid methyl ester (16641-82-0) → 1-Methyl-3-carbamoyl-β-carboline (23256-12-4)

Guidance literature:

With ammonium hydroxide; In methanol; at 20 ℃;

DOI:10.1016/j.ejmech.2021.113563

Reference yield:

(3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester (191279-38-6) → 1-Methyl-3-carbamoyl-β-carboline (23256-12-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium permanganate / N,N-dimethyl-formamide / 24 h / 20 °C

2: ammonium hydroxide / methanol / 20 °C

With ammonium hydroxide; potassium permanganate; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2021.113563

Reference yield:

harman-3-carboxylic acid (22329-38-0) → 1-Methyl-3-carbamoyl-β-carboline (23256-12-4)

Guidance literature:

With thionyl chloride; ammonia; Yield given. Multistep reaction; 1.) reflux, 3 h, 2.) benzene;

DOI:10.1007/BF00770451

upstream raw materials:

harman-3-carboxylic acid

(3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester

1-methyl-β-carboline-3-carboxylic acid methyl ester

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