Ceceline

Base Information

• Chemical Name: Ceceline
• CAS No.: 76525-09-2
• Molecular Formula: C₁₉H₁₆N₂O₂
• Molecular Weight: 304.348
• DSSTox Substance ID: DTXSID20415112
• Metabolomics Workbench ID: 70219
• Nikkaji Number: J2.768.748B
• Wikidata: Q27106101
• Mol file: 76525-09-2.mol

Synonyms:Ceceline;76525-09-2;4-[(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)methyl]phenol;C09130;AC1NQYED;CHEBI:3477;DTXSID20415112;Q27106101

Chemical Property of Ceceline

Chemical Property:

• Vapor Pressure: 2.08E-13mmHg at 25°C
• Boiling Point: 565.9°C at 760 mmHg
• Flash Point: 296°C
• Density: 1.317g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 304.121177757
• Heavy Atom Count: 23
• Complexity: 397

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)NC3=C2C=CN=C3CC4=CC=C(C=C4)O

Technology Process of Ceceline

There total 3 articles about Ceceline 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-(4-Hydroxy-benzyl)-6-methoxy-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid → cecilin (76525-09-2)

Guidance literature:

With potassium dichromate; In acetic acid; for 0.5h; Heating;

DOI:10.1016/S0031-9422(00)83834-0

Reference yield:

5-methoxytryptophan (28052-84-8) → cecilin (76525-09-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.24 g / 1 M H₂SO₄ / ethanol; H₂O / 22 h / Heating

2: 30 mg / 10 percent aq. K₂Cr₂O₇ / acetic acid / 0.5 h / Heating

With potassium dichromate; sulfuric acid; In ethanol; water; acetic acid;

DOI:10.1016/S0031-9422(00)83834-0

Reference yield:

4-hydroxyphenylpiruvic acid (156-39-8) → cecilin (76525-09-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.24 g / 1 M H₂SO₄ / ethanol; H₂O / 22 h / Heating

2: 30 mg / 10 percent aq. K₂Cr₂O₇ / acetic acid / 0.5 h / Heating

With potassium dichromate; sulfuric acid; In ethanol; water; acetic acid;

DOI:10.1016/S0031-9422(00)83834-0

upstream raw materials:

5-methoxytryptophan

4-hydroxyphenylpiruvic acid