2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole

Base Information

• Chemical Name: 2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole
• CAS No.: 170864-80-9
• Molecular Formula: C₂₀H₂₀N₂O₂
• Molecular Weight: 320.391
• DSSTox Substance ID: DTXSID301139924
• Mol file: 170864-80-9.mol

Synonyms:SCHEMBL6333416;WNKJAYSFWXDGKY-UHFFFAOYSA-N;DTXSID301139924;2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole;170864-80-9;Phenylmethyl 1,3,4,9-tetrahydro-9-methyl-2H-pyrido[3,4-b]indole-2-carboxylate

Chemical Property of 2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 320.152477885
• Heavy Atom Count: 24
• Complexity: 449

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(CCN(C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C41

Technology Process of 2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole

There total 3 articles about 2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole 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:

benzyl 1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxylate (153874-43-2) → 2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole (170864-80-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/S0960-894X(01)00405-X

Reference yield:

tetrahydrobetacarboline (16502-01-5) → 2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole (170864-80-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / dimethylformamide

2: NaH / dimethylformamide / 20 °C

With sodium hydride; triethylamine; In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(01)00405-X

Reference yield:

N-(benzyloxycarbonyl)succinimide (75315-63-8) → 2-benzyloxycarbonyl-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole (170864-80-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / dimethylformamide

2: NaH / dimethylformamide / 20 °C

With sodium hydride; triethylamine; In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(01)00405-X

upstream raw materials:

benzyl 1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxylate

tetrahydrobetacarboline

N-(benzyloxycarbonyl)succinimide

Downstream raw materials:

9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole