Diethyl 2-chloroazulene-1,3-dicarboxylate

Base Information

• Chemical Name: Diethyl 2-chloroazulene-1,3-dicarboxylate
• CAS No.: 36044-40-3
• Molecular Formula: C16H15ClO4
• Molecular Weight: 306.746
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID50437286
• Nikkaji Number: J355.851G
• Mol file: 36044-40-3.mol

Synonyms:36044-40-3;Diethyl 2-chloroazulene-1,3-dicarboxylate;DTXSID50437286;Diethyl 2-chloro-1,3-azulenedicarboxylate;2-Chloro-azulene-1,3-dicarboxylic acid diethyl ester

Chemical Property of Diethyl 2-chloroazulene-1,3-dicarboxylate

Chemical Property:

• PSA: 52.60000
• LogP: 3.79820
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 306.0658866
• Heavy Atom Count: 21
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2C=CC=CC=C2C(=C1Cl)C(=O)OCC

Technology Process of Diethyl 2-chloroazulene-1,3-dicarboxylate

There total 5 articles about Diethyl 2-chloroazulene-1,3-dicarboxylate 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: 91.1%

diethyl 2-aminoazulene-1,3-dicarboxylate (3806-02-8) → diethyl 2-chloroazulene-1,3-dicarboxylate (36044-40-3)

Guidance literature:

diethyl 2-aminoazulene-1,3-dicarboxylate; With hydrogenchloride; In benzene; for 2h; cooling;

With isopentyl nitrite; In benzene; at 20 ℃;

DOI:10.1081/SCC-120021993

Reference yield:

2-chlorotropone (3839-48-3) → diethyl 2-chloroazulene-1,3-dicarboxylate (36044-40-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethylate; ethanol

2: isopentyl nitrite; benzene; HCl

With hydrogenchloride; ethanol; sodium ethanolate; benzene; isopentyl nitrite;

Reference yield:

ethyl 2-cyanoacetate (105-56-6) → diethyl 2-chloroazulene-1,3-dicarboxylate (36044-40-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOEt / ethanol

2: HCl, isopentyl nitrite / benzene

With hydrogenchloride; sodium ethanolate; isopentyl nitrite; In ethanol; benzene;

DOI:10.1021/jo00900a002

upstream raw materials:

diethyl 2-aminoazulene-1,3-dicarboxylate

2-chlorotropone

ethyl 2-cyanoacetate

Downstream raw materials:

2-chloroazulene

2-Anilino-azulen-1.3-dicarbonsaeure-diethylester

2-(4'-Brom-anilino)-azulen-1.3-dicarbonsaeure-diethylester

diethyl 2-styryl-1,3-azulenedicarboxylate