2-Chloroazulene

Base Information

• Chemical Name: 2-Chloroazulene
• CAS No.: 36044-31-2
• Molecular Formula: C10H7 Cl
• Molecular Weight: 162.619
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID90513659
• Nikkaji Number: J840.826B
• Mol file: 36044-31-2.mol

Synonyms:2-CHLOROAZULENE;36044-31-2;DTXSID90513659;FT-0611907

Chemical Property of 2-Chloroazulene

Chemical Property:

• Vapor Pressure: 0.021mmHg at 25°C
• Refractive Index: 1.643
• Boiling Point: 259.557°C at 760 mmHg
• Flash Point: 114.628°C
• PSA: 0.00000
• Density: 1.2g/cm³
• LogP: 3.44480
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 162.0236279
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=C2C=C1)Cl

Technology Process of 2-Chloroazulene

There total 8 articles about 2-Chloroazulene 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: 57.0%

2-(azulen-2-yl)-4,4,5,5- tetramethyl-1,3,2-dioxaborolane (457644-50-7) → 2-chloroazulene (36044-31-2)

Guidance literature:

With copper(l) chloride; In N,N-dimethyl-formamide; at 90 ℃; for 3h;

DOI:10.1021/acs.joc.7b02820

Reference yield: 2.0%

2-hydroxyazulene (19384-00-0) + p-toluenesulfonyl chloride (98-59-9) → 2-chloroazulene (36044-31-2) + 2-azulenyl p-toluenesulfonate (625843-33-6)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃; for 3.58333h;

DOI:10.1016/j.tet.2003.08.048

Reference yield: 2.0%

2-hydroxyazulene (19384-00-0) + methanesulfonyl chloride (124-63-0) → 2-chloroazulene (36044-31-2) + 2-azulenyl methanesulfonate (625843-32-5) + 1-mesylazulen-2-yl methanesulfonate

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃; for 1.58333h;

DOI:10.1016/j.tet.2003.08.048

upstream raw materials:

diethyl 2-chloroazulene-1,3-dicarboxylate

2-Chlor-azulen-1,3-dicarbonsaeure

2-hydroxyazulene

methanesulfonyl chloride

Downstream raw materials:

2-iodoazulene

1-(2-chloro-6-azulyl)-3-methyl-3-phenyl-2-butanone

2,2′-biazulene

azulene