CID 9861174

Base Information

• Chemical Name: CID 9861174
• CAS No.: 6223-35-4
• Molecular Formula: C15H17NaO3S
• Molecular Weight: 300.354
• Hs Code.: 2904100000
• Mol file: 6223-35-4.mol

Synonyms:SCHEMBL9065336;s5322

Chemical Property of CID 9861174

Chemical Property:

• Melting Point: 98°C(lit.)
• PSA: 65.58000
• LogP: 4.51650
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 301.08743489
• Heavy Atom Count: 20
• Complexity: 410

Purity/Quality:

99%, ^*data from raw suppliers

Sodium 7-Isopropyl-1,4-dimethylazulene-3-sulfonate >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)O.[Na]
• Description: Sodium gualenate is unstable, it will decompose under light, air oxidation and high temperature environment, and it is easy to remove the sulfonic acid group. According to existing reports, it is common for sodium azulene sulfonate to contain half or one crystal water.
• Uses: Sodium gualenate is an active ingredient of chamomile flowers, which has strong anti-pepsin, anti-inflammatory, antibacterial, anti-allergic, and promotion of mucosal metabolism. It is mainly used to study duodenal ulcer, gastric ulcer and gastritis.

Technology Process of CID 9861174

There total 3 articles about CID 9861174 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: 87.5%

7-isopropyl-1,4-dimethyl-azulene (489-84-9) → Azulon (6223-35-4)

Guidance literature:

With sulfuric acid; acetic anhydride; at 20 ℃; for 2h; Cooling with ice;

Reference yield:

5-isopropyl-3,8-dimethyl-azulene-1-sulfonic acid (16915-32-5) → Azulon (6223-35-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/j.bmcl.2011.08.018

Reference yield:

→ Azulon (6223-35-4)

Guidance literature:

Verb./BRN= 365001/, CH2ClCH2Cl, Sulfonierungsmittel Triethylphosphat-SO3;

upstream raw materials:

7-isopropyl-1,4-dimethyl-azulene

5-isopropyl-3,8-dimethyl-azulene-1-sulfonic acid

Downstream raw materials:

N-cyclohexyl-3,8-dimethyl-5-isopropyl-1-azulene sulfonamide

N-benzyl-3,8-dimethyl-5-isopropyl-1-azulene sulfonamide

N-(4-chlorophenyl)-3,8-dimethyl-5-isopropyl-1-azulene sulfonamide

N-(4-aminophenyl)-3,8-dimethyl-5-isopropyl-1-azulene sulfonamide

Refernces

• 1、 Peet, Julia,Selyutina, Anastasia,Bredihhin, Aleksei. "Antiretroviral (HIV-1) activity of azulene derivatives". . p. 1653 - 1657. Retrieved 2016/04/05.
• 2、 Zhang, Lu-Yun,Yang, Fang,Shi, Wan-Qi,Zhang, Ping,Li, Ying,Yin, Shu-Fan. "Synthesis and antigastric ulcer activity of novel 5-isoproyl-3,8- dimethylazulene derivatives". . p. 5722 - 5725. Retrieved 2011/10/18.