Urorosein

Base Information

• Chemical Name: Urorosein
• CAS No.: 526-32-9
• Molecular Formula: C17H12N2
• Molecular Weight: 244.2906
• NSC Number: 76746
• ChEMBL ID: CHEMBL1900086
• Mol file: 526-32-9.mol

Synonyms:urorosein

Chemical Property of Urorosein

Chemical Property:

• Vapor Pressure: 3.49E-09mmHg at 25°C
• Boiling Point: 487.6°C at 760 mmHg
• Flash Point: 248.7°C
• Density: 1.21g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 244.100048391
• Heavy Atom Count: 19
• Complexity: 398

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C=C3C=NC4=CC=CC=C43
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)/C=C/3\C=NC4=CC=CC=C43

Technology Process of Urorosein

There total 6 articles about Urorosein 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:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 3--3H-indol (526-32-9)

Guidance literature:

With mineral acids;

DOI:10.1042/bj0510430 DOI:10.1021/jo01045a540

Reference yield:

indole (120-72-9) + orthoformic acid triethyl ester (122-51-0) → 3--3H-indol (526-32-9)

Guidance literature:

With hydrogenchloride;

DOI:10.1042/bj0510430

Reference yield:

1H-indol-2-ylcarboxaldehyde (19005-93-7) → 3--3H-indol (526-32-9)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

indole

orthoformic acid triethyl ester

Indole-3-carboxaldehyde

1H-indol-2-ylcarboxaldehyde

Refernces