Benzyl 9H-beta-carboline-3-carboxylate

Base Information

• Chemical Name: Benzyl 9H-beta-carboline-3-carboxylate
• CAS No.: 78538-68-8
• Molecular Formula: C₁₉H₁₄N₂O₂
• Molecular Weight: 302.332
• ChEMBL ID: CHEMBL358965
• DSSTox Substance ID: DTXSID00513968
• Wikidata: Q82374022
• Mol file: 78538-68-8.mol

Synonyms:78538-68-8;Benzyl 9H-beta-carboline-3-carboxylate;CHEMBL358965;DTXSID00513968

Chemical Property of Benzyl 9H-beta-carboline-3-carboxylate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 302.105527694
• Heavy Atom Count: 23
• Complexity: 422

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

Technology Process of Benzyl 9H-beta-carboline-3-carboxylate

There total 6 articles about Benzyl 9H-beta-carboline-3-carboxylate 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:

Trp (54-12-6,27732-43-0,80206-30-0,27813-82-7) → Benzyl 9H-pyrido<3,4-b>indole-3-carboxylate (78538-68-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 97 percent / NaOH / H₂O / 3 h / Heating

2: 90 percent / HCl (gas)

3: 57 percent / AcOH, Pb(OAc)4 / 15 h

4: 1.) Na / 2.) 80 deg C

With lead(IV) acetate; hydrogenchloride; sodium hydroxide; sodium; acetic acid; In water;

DOI:10.1021/jm00358a008

Reference yield:

methyl 1,2,3,4-tetrahydro-β-carboline-3-carboxylate (42021-11-4) → Benzyl 9H-pyrido<3,4-b>indole-3-carboxylate (78538-68-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 57 percent / AcOH, Pb(OAc)4 / 15 h

2: 1.) Na / 2.) 80 deg C

With lead(IV) acetate; sodium; acetic acid;

DOI:10.1021/jm00358a008

Reference yield:

1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (6052-68-2) → Benzyl 9H-pyrido<3,4-b>indole-3-carboxylate (78538-68-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / HCl (gas)

2: 57 percent / AcOH, Pb(OAc)4 / 15 h

3: 1.) Na / 2.) 80 deg C

With lead(IV) acetate; hydrogenchloride; sodium; acetic acid;

DOI:10.1021/jm00358a008

upstream raw materials:

methyl 9H-β-carboline-3-carboxylate

benzyl alcohol

benzyl bromide

methyl 1,2,3,4-tetrahydro-β-carboline-3-carboxylate