4-Phenylazulene

Base Information

• Chemical Name: 4-Phenylazulene
• CAS No.: 23781-83-1
• Molecular Formula: C16H12
• Molecular Weight: 204.27
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID80547024
• Nikkaji Number: J88.196A
• Mol file: 23781-83-1.mol

Synonyms:4-Phenylazulene;23781-83-1;4-Phenylazulen;DTXSID80547024

Chemical Property of 4-Phenylazulene

Chemical Property:

• PSA: 0.00000
• LogP: 4.45840
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 204.093900383
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC=C3C2=CC=C3

Technology Process of 4-Phenylazulene

There total 15 articles about 4-Phenylazulene 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: 85.0%

Diethyl 4-phenylazulene-1,3-dicarboxylate (50883-02-8) → 4-phenylazulene (23781-83-1)

Guidance literature:

With potassium hydroxide; In ethanol; for 2h; Heating;

DOI:10.1039/b003078n

Reference yield:

4-phenyl-decahydro-azulene (101269-60-7) → 4-phenylazulene (23781-83-1)

Guidance literature:

With palladium on activated charcoal; at 350 - 360 ℃;

DOI:10.1021/ja01545a054

Reference yield:

4-phenyl-octahydro-azulen-6-one (106990-30-1) → 4-phenylazulene (23781-83-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄+H₂O; diethylene glycol / anschliessendes Erhitzen mit KOH

2: palladium/charcoal / 350 - 360 °C

With palladium on activated charcoal; hydrazine hydrate; diethylene glycol;

DOI:10.1021/ja01545a054

upstream raw materials:

bicyclo<5.3.0>decan-1-one

4-phenyl-decahydro-azulene

phenyllithium

azulene

Downstream raw materials:

4,8-diphenylazulene

4-methyl-8-phenyl-azulene

Refernces

• 1、 Morita, Tadayoshi,Abe, Noritaka,Takase, Kahei. "Reactions of diethyl azulene-1,3-dicarboxylate derivatives and 1-azaazulene derivatives with Grignard reagents, and alkyl- and aryllithium". . p. 3063 - 3070. Retrieved 2007/10/03.