CID 260070

Base Information

• Chemical Name: CID 260070
• CAS No.: 105686-91-7
• Molecular Formula: C19H20 O5
• Molecular Weight: 328.365
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID80293599
• Mol file: 105686-91-7.mol

Synonyms:105686-91-7;CID 260070;NCIOpen2_009631;SCHEMBL615818;DTXSID80293599;AKOS034380519;UPCMLD0ENAT5700965:001;NCI60_010238

Chemical Property of CID 260070

Chemical Property:

• PSA: 53.99000
• LogP: 3.61710
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 328.13107373
• Heavy Atom Count: 24
• Complexity: 400

Purity/Quality:

97% ^*data from raw suppliers

1-(4-METHOXYPHENYL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC
• General Description: 1-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is a methoxylated chalcone whose supramolecular arrangement is influenced by the presence of methoxy groups. 1-(4-METHOXYPHENYL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-ONE exhibits a planar structure stabilized by intermolecular interactions, which are modulated by the substitution pattern of the methoxy groups on the aromatic rings. This structural feature may contribute to its potential physicochemical properties and interactions in molecular assemblies.

Technology Process of CID 260070

There total 2 articles about CID 260070 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: 91.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) + 1-(4-methoxyphenyl)ethanone (100-06-1) → (2E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one (105686-91-7)

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1021/acs.joc.7b01803

Reference yield: 74.0%

methyl (3,4,5-trimethoxyphenyl) ketone (1136-86-3) + 4-methoxy-benzaldehyde (123-11-5) → (2E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one (105686-91-7)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 24h;

DOI:10.3998/ark.5550190.p010.031

Reference yield: 95.0%

(2E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one (105686-91-7) + 1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) → (E)-2-((E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)allylidene)hydrazinecarboximidamide hydrochloride

Guidance literature:

With hydrogenchloride; In ethanol; Reflux;

DOI:10.1021/acs.joc.6b01258

upstream raw materials:

3,4,5-trimethoxy-benzaldehyde

1-(4-methoxyphenyl)ethanone

methyl (3,4,5-trimethoxyphenyl) ketone

4-methoxy-benzaldehyde

Downstream raw materials:

1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one

2-(4-Chloro-phenyl)-6-(4-methoxy-phenyl)-4-(3,4,5-trimethoxy-phenyl)-pyridine

2-(4-Methoxy-phenyl)-6-phenyl-4-(3,4,5-trimethoxy-phenyl)-pyridine

2-(4-Methoxy-phenyl)-6-p-tolyl-4-(3,4,5-trimethoxy-phenyl)-pyridine