3-(Methoxycarbonyl)amino-beta-carboline

Base Information

• Chemical Name: 3-(Methoxycarbonyl)amino-beta-carboline
• CAS No.: 91985-74-9
• Molecular Formula: C₁₃H₁₁N₃O₂
• Molecular Weight: 241.249
• DSSTox Substance ID: DTXSID70919418
• Nikkaji Number: J227.826J
• ChEMBL ID: CHEMBL165882
• Mol file: 91985-74-9.mol

Synonyms:3-(methoxycarbonyl)amino-beta-carboline;3-MCABC

Chemical Property of 3-(Methoxycarbonyl)amino-beta-carboline

Chemical Property:

• Vapor Pressure: 6.05E-08mmHg at 25°C
• Boiling Point: 440.1°C at 760 mmHg
• Flash Point: 220°C
• PSA: 70.50000
• Density: 1.43g/cm³
• LogP: 2.90800
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.085126602
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

9H-pyrido[3,4-b]indol-3-yl-Carbamicacidmethylester 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC1=NC=C2C(=C1)C3=CC=CC=C3N2

Technology Process of 3-(Methoxycarbonyl)amino-beta-carboline

There total 3 articles about 3-(Methoxycarbonyl)amino-beta-carboline 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: 60.0%

methanol (67-56-1) + 9H-pyrido<3,4-b>indole-3-carboxylic acid azide (73834-75-0) → 3-[(methoxycarbonyl)amino]-β-carboline (91985-74-9)

Guidance literature:

for 6h; Heating;

DOI:10.1021/jm00383a024

Reference yield:

ethyl 9H-pyrido[3,4-b]indole-3-carboxylate (74214-62-3) → 3-[(methoxycarbonyl)amino]-β-carboline (91985-74-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / 85percent hydrazine hydrate / ethanol / 6 h / Heating

2: 77 percent / aq. HCl, NaNO₂ / 0.33 h / 0 °C

3: 60 percent / 6 h / Heating

With hydrogenchloride; hydrazine hydrate; sodium nitrite; In ethanol;

DOI:10.1021/jm00383a024

Reference yield:

9H-pyrido[3,4-b]indole-3-carbohydrazide (73834-74-9) → 3-[(methoxycarbonyl)amino]-β-carboline (91985-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / aq. HCl, NaNO₂ / 0.33 h / 0 °C

2: 60 percent / 6 h / Heating

With hydrogenchloride; sodium nitrite;

DOI:10.1021/jm00383a024

upstream raw materials:

methanol

9H-pyrido<3,4-b>indole-3-carboxylic acid azide

ethyl 9H-pyrido[3,4-b]indole-3-carboxylate

9H-pyrido[3,4-b]indole-3-carbohydrazide