Carbocromen

Base Information

• Chemical Name: Carbocromen
• CAS No.: 804-10-4
• Molecular Formula: C20H27 N O5
• Molecular Weight: 361.438
• European Community (EC) Number: 212-356-6
• UNII: R0C9NIE5JJ
• DSSTox Substance ID: DTXSID60230301
• Nikkaji Number: J7.099H
• Wikipedia: Carbocromen
• Wikidata: Q5037872
• NCI Thesaurus Code: C79586
• Metabolomics Workbench ID: 154105
• ChEMBL ID: CHEMBL163672
• Mol file: 804-10-4.mol

Synonyms:Carbochromen;Carbochromene;Carbocromen;Carbocromene;Cardiocap;Chromonar;Chromonar Hydrochloride;Hydrochloride, Chromonar;Intensain;Intercordin

Chemical Property of Carbocromen

Chemical Property:

• Vapor Pressure: 1.08E-09mmHg at 25°C
• Melting Point: 220-222 °C
• Boiling Point: 488.6°C at 760 mmHg
• PKA: pKa 8.3 (Uncertain)
• Flash Point: 249.3°C
• PSA: 68.98000
• Density: 1.126g/cm³
• LogP: 2.92760
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 361.18892296
• Heavy Atom Count: 26
• Complexity: 526

Purity/Quality:

98%,99%, ^*data from raw suppliers

CARBOCHROMENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C

Technology Process of Carbocromen

There total 2 articles about Carbocromen 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: 51.8%

3-(2-(diethylamino)ethyl)-7-hydroxy-4-methyl-2H-chromen-2-one (49652-64-4) + chloroacetic acid ethyl ester (105-39-5) → chromonar (804-10-4)

Guidance literature:

3-(2-(diethylamino)ethyl)-7-hydroxy-4-methyl-2H-chromen-2-one; With potassium carbonate; In ethyl acetate; for 4h; Reflux;

chloroacetic acid ethyl ester; In ethyl acetate; at 25 ℃; for 14h; Time; Reflux;

Reference yield:

→ chromonar (804-10-4)

Guidance literature:

3-(β-Diethylamino-ethyl)-4-methyl-7-hydroxy-cumarin, Ethyl-bromacetat;

DOI:10.1007/BF00764133

upstream raw materials:

3-(2-(diethylamino)ethyl)-7-hydroxy-4-methyl-2H-chromen-2-one

chloroacetic acid ethyl ester

Refernces

• 1、 -. "Synthesis method of high-yield carbochromen bulk drug". Paragraph 0014; 0019-0028. . Retrieved 2021/08/25.