(E)-8-(2-Chloro-3,4-dimethoxystyryl)caffeine

Base Information

• Chemical Name: (E)-8-(2-Chloro-3,4-dimethoxystyryl)caffeine
• CAS No.: 155271-45-7
• Molecular Formula: C₁₈H₁₉ClN₄O₄
• Molecular Weight: 390.826
• Wikidata: Q76389413
• Mol file: 155271-45-7.mol

Synonyms:(E)-8-(2-Chloro-3,4-dimethoxystyryl)caffeine;155271-45-7;8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-,(E)-;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)et henyl)-1,3,7-trimethyl-,(E)-;C18-H19-Cl-N4-O4;SCHEMBL7302063;SCHEMBL7302067;LS-126635

Chemical Property of (E)-8-(2-Chloro-3,4-dimethoxystyryl)caffeine

Chemical Property:

• Vapor Pressure: 8.25E-15mmHg at 25°C
• Boiling Point: 609.7°Cat760mmHg
• PKA: 0.01±0.70(Predicted)
• Flash Point: 322.6°C
• PSA: 80.28000
• Density: 1.36g/cm³
• LogP: 1.81170
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 390.1094828
• Heavy Atom Count: 27
• Complexity: 618

Purity/Quality:

(E)-3,7-DIHYDRO-8-(2-(2-CHLORO-3,4-DIMETHOXYPHENYL)ETHENYL)-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=C(C(=C(C=C3)OC)OC)Cl
• Isomeric SMILES: CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=C(C(=C(C=C3)OC)OC)Cl

Technology Process of (E)-8-(2-Chloro-3,4-dimethoxystyryl)caffeine

There total 1 articles about (E)-8-(2-Chloro-3,4-dimethoxystyryl)caffeine 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: 81.0%

→ (E)-8-(2-Chloro-3,4-dimethoxystyryl)caffeine (155271-45-7)

Guidance literature: