1-(3-Iodo-5-methoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione

Base Information

• Chemical Name: 1-(3-Iodo-5-methoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione
• CAS No.: 106331-90-2
• Molecular Formula: C23H27IO7
• Molecular Weight: 542.368
• DSSTox Substance ID: DTXSID301136425
• Mol file: 106331-90-2.mol

Synonyms:SCHEMBL8109869;DYSAHUCETDFNNO-UHFFFAOYSA-N;DTXSID301136425;1-(3-Iodo-5-methoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione;106331-90-2;1-(5-iodo-3-methoxy-4-n-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione;1-(5-iodo-4-n-propoxy-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-butan-1,4-dione

Chemical Property of 1-(3-Iodo-5-methoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 542.08015
• Heavy Atom Count: 31
• Complexity: 558

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C=C(C=C1I)C(=O)CCC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC

Technology Process of 1-(3-Iodo-5-methoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione

There total 3 articles about 1-(3-Iodo-5-methoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione 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: 61.0%

3-(N,N-dimethylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-one (39038-42-1) + 3-methoxy-4-n-propyloxy-5-iodobenzaldehyde (106331-89-9) → 1-(5-iodo-3-methoxy-4-n-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione (106331-90-2)

Guidance literature:

With hydrogenchloride; In ethyl acetate; N,N-dimethyl-formamide;

Reference yield: 25.0%

→ 1-(5-iodo-3-methoxy-4-n-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione (106331-90-2)

Guidance literature:

Reference yield:

propyl bromide (106-94-5) + 1-[3-methoxy-4-hydroxy-5-iodophenyl]-4-(3,4,5-trimethoxyphenyl)-butane-1,4-dione (670749-34-5) → 1-(5-iodo-3-methoxy-4-n-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione (106331-90-2)

Guidance literature:

In potassium carbonate; N,N-dimethyl-formamide;

upstream raw materials:

3-(N,N-dimethylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-one

3-methoxy-4-n-propyloxy-5-iodobenzaldehyde

propyl bromide

1-[3-methoxy-4-hydroxy-5-iodophenyl]-4-(3,4,5-trimethoxyphenyl)-butane-1,4-dione

Downstream raw materials:

1-(3,4,5-trimethoxyphenyl)-4-(3-methoxy-4-propoxy-5-cyanophenyl)-1,4-butanedione

1-(3-methoxy-5-methylthio-4-n-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione