9H-pyrido[3,4-b]indole-1-carbaldehyde

Base Information

• Chemical Name: 9H-pyrido[3,4-b]indole-1-carbaldehyde
• CAS No.: 20127-63-3
• Molecular Formula: C12H8N2O
• Molecular Weight: 196.208
• Hs Code.: 2933990090
• NSC Number: 149850
• DSSTox Substance ID: DTXSID10415722
• Nikkaji Number: J424.516D
• Wikidata: Q72515313
• Metabolomics Workbench ID: 127076
• ChEMBL ID: CHEMBL2171348
• Mol file: 20127-63-3.mol

Synonyms:9H-pyrido[3,4-b]indole-1-carbaldehyde;20127-63-3;9H-pyrido[3,4-b]indole-1-carboxaldehyde;beta-carboline-1-carbaldehyde;9H-b-Carboline-1-carbaldehyde;NSC149850;1-Formyl-|A-carboline;1-Formyl-beta-carboline;1-Formyl-.beta.-carboline;SCHEMBL3621970;CHEMBL2171348;DTXSID10415722;9H-Beta-carboline-1-carbaldehyde;BCP05772;9H-Beta-carboline-1-carbaldehyde #;MFCD14706724;AKOS015901393;NSC-149850;SB35163;AM807374;BS-50118;CS-0196964;InChI=1/C12H8N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-7,14

Chemical Property of 9H-pyrido[3,4-b]indole-1-carbaldehyde

Chemical Property:

• Vapor Pressure: 5.72E-08mmHg at 25°C
• Boiling Point: 440.8°C at 760 mmHg
• Flash Point: 220.8°C
• PSA: 45.75000
• Density: 1.392
• LogP: 2.52860
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.063662883
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

9H-pyrido[3,4-b]indole-1-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C=O

Technology Process of 9H-pyrido[3,4-b]indole-1-carbaldehyde

There total 1 articles about 9H-pyrido[3,4-b]indole-1-carbaldehyde 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:

methyl 1-acetyl-4-[(β-carbolin-1-yl)methyl]-5-vinyl-1,4-dihydropyridine-3-carboxylate (668987-20-0) → harmane (486-84-0) + 5-ethenyl-3-pyridinecarboxylic acid methyl ester (38940-67-9) + kumujian C (20127-63-3) + methyl 4-[(β-carbolin-1-yl)methyl]-5-vinyl-1,4-dihydropyridine-3-carboxylate (52811-48-0)

Guidance literature:

With sodium; In methanol; at 20 ℃; for 0.0333333h;

DOI:10.1021/jo035507h

Reference yield: 87.0%

benzyl bromide (100-39-0) + kumujian C (20127-63-3) → 9-benzyl-9H-pyrido[3,4-b]indole-1-carbaldehyde (203717-13-9)

Guidance literature:

kumujian C; With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

benzyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/ejoc.201901908

Reference yield: 87.0%

3,5-dimethoxybenzyl bromide (877-88-3) + kumujian C (20127-63-3) → 9-(3,5-dimethoxybenzyl)-9H-β-carboline-1-carbaldehyde (1379826-28-4)

Guidance literature:

kumujian C; With caesium carbonate; In N,N-dimethyl-formamide; for 0.25h;

3,5-dimethoxybenzyl bromide; In N,N-dimethyl-formamide; for 1h;

DOI:10.1002/ejoc.201200068

upstream raw materials:

methyl 1-acetyl-4-[(β-carbolin-1-yl)methyl]-5-vinyl-1,4-dihydropyridine-3-carboxylate

Downstream raw materials:

canthin-6-one

pavettine

9-(3,5-dimethoxybenzyl)-9H-β-carboline-1-carbaldehyde

C₂₄H₂₁N₃O₃

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