2-Methylazulene

Base Information

• Chemical Name: 2-Methylazulene
• CAS No.: 769-86-8
• Molecular Formula: C11H10
• Molecular Weight: 142.2
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID70456070
• Nikkaji Number: J606.863D
• Mol file: 769-86-8.mol

Synonyms:2-methylazulene;769-86-8;Azulene, 2-methyl-;2-methyl azulene;DTXSID70456070;ZRCFBHGCJAIXIH-UHFFFAOYSA-N;AKOS016007195

Chemical Property of 2-Methylazulene

Chemical Property:

• Melting Point: 47-48℃
• Boiling Point: 243℃
• Flash Point: 94℃
• PSA: 0.00000
• Density: 1.016
• LogP: 3.09980
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 142.078250319
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

99%, ^*data from raw suppliers

2-Methylazulene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=CC2=C1

Technology Process of 2-Methylazulene

There total 25 articles about 2-Methylazulene 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: 100.0%

methyl 2-methylazulene-3-carboxylate (54654-48-7) → 2-methylazulene (769-86-8)

Guidance literature:

With phosphoric acid; at 100 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(03)00819-0

Reference yield: 53.0%

1-cyano-2-methylazulene-3-carboxylic acid (33447-42-6) → 2-methylazulene (769-86-8)

Guidance literature:

With sulfuric acid; In water; at 90 - 120 ℃; for 4h;

DOI:10.1142/S1088424619501876

Reference yield:

1-(2'-methylpropa-1',3'-dienyl)-7-bicyclo<4.1.0>heptane (89657-10-3) → 2-methylazulene (769-86-8) + 9-methylbicyclo<5.3.0>deca-1(7),9-diene (769-87-9)

Guidance literature:

With (E)-3-phenylacrylic acid; palladium on activated charcoal; Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) benzene, 225 deg C, 8 h, 2.) benzene, 140 deg C, 44 h;

DOI:10.1021/ja00076a037

upstream raw materials:

2-methylindane

2-methyl-octahydro-azulen-5-one

1-cyano-2-methylazulene-1-carboxylate

Ethyl-2-methylazulen-1-carboxaldehyd

Downstream raw materials:

2-(2-Methyl-azulen-1-yl)-ethanol

2-[3-(2-Hydroxy-ethyl)-2-methyl-azulen-1-yl]-ethanol

1-fluoro-2-methylazulene

1,2-dimethyl-azulene

Refernces

• 1、 Pham, Wellington,Weissleder, Ralph,Tung, Ching-Hsuan. "A practical approach for the preparation of monofunctional azulenyl squaraine dye". . p. 3975 - 3978. Retrieved 2007/10/03.
• 2、 Ueno, Tetsuya,Toda, Haruhiko,Yasunami, Masafumi,Yoshifuji, Masaaki. "Synthesis and Properties of Fluoroazulenes. II. Electrophilic Fluorination of Azulenes with N-Fluoro Reagents". . p. 1645 - 1656. Retrieved 2007/10/03.