Benzene, 1-(1,1-dimethyl-7-phenoxyheptyl)-3,5-dimethoxy-

Base Information

• Chemical Name: Benzene, 1-(1,1-dimethyl-7-phenoxyheptyl)-3,5-dimethoxy-
• CAS No.: 197587-20-5
• Molecular Formula: C23H32O3
• Molecular Weight: 356.505
• DSSTox Substance ID: DTXSID80448603
• Wikidata: Q82267671
• Mol file: 197587-20-5.mol

Synonyms:197587-20-5;Benzene, 1-(1,1-dimethyl-7-phenoxyheptyl)-3,5-dimethoxy-;SCHEMBL15648109;DTXSID80448603;2-(3,5-dimethoxyphenyl)-2-methyl-8-phenoxyoctane

Chemical Property of Benzene, 1-(1,1-dimethyl-7-phenoxyheptyl)-3,5-dimethoxy-

Chemical Property:

• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 356.23514488
• Heavy Atom Count: 26
• Complexity: 351

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCCCCCOC1=CC=CC=C1)C2=CC(=CC(=C2)OC)OC

Technology Process of Benzene, 1-(1,1-dimethyl-7-phenoxyheptyl)-3,5-dimethoxy-

There total 12 articles about Benzene, 1-(1,1-dimethyl-7-phenoxyheptyl)-3,5-dimethoxy- 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: 87.0%

C23H30O3 → 3,5-dimethoxy-1-(2-methyl-8-phenoxyoctan-2-yl)benzene (197587-20-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 2.5h;

DOI:10.1038/nature23272

Reference yield: 84.0%

dimethyl zinc(II) (544-97-8) + 1-(3,5-dimethoxyphenyl)-7-phenoxyheptan-1-one (197587-19-2) → 3,5-dimethoxy-1-(2-methyl-8-phenoxyoctan-2-yl)benzene (197587-20-5)

Guidance literature:

dimethyl zinc(II); With titanium tetrachloride; In dichloromethane; toluene; at -30 ℃; for 0.5h;

1-(3,5-dimethoxyphenyl)-7-phenoxyheptan-1-one; In dichloromethane; toluene; at 20 ℃; for 6h; Further stages.;

DOI:10.1021/jo0264978

Reference yield:

(Z)-3,5-dimethoxy-1-(2-methyl-8-phenoxyoct-3-en-2-yl)benzene (1605280-98-5) → 3,5-dimethoxy-1-(2-methyl-8-phenoxyoctan-2-yl)benzene (197587-20-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 2.5h;

DOI:10.1021/acs.jmedchem.0c02053

upstream raw materials:

dimethyl zinc(II)

1-(3,5-dimethoxyphenyl)-7-phenoxyheptan-1-one

6-bromohexyloxybenzene

(3,5-dimethoxyphenyl)-N-methoxy-N-methylcarboxamide

Downstream raw materials:

1-[4-(7-bromo-1,1-dimethylheptyl)-2,6-dihydroxyphenyl]ethan-1-one

1-[2-allyloxy-4-(7-bromo-1,1-dimethylheptyl)-6-hydroxyphenyl]ethanone

1-[2-allyloxy-4-(7-bromo-1,1-dimethyl-heptyl)-6-hydroxy-phenyl]-10-(tert-butyl-dimethyl-silanyloxy)-3-hydroxy-7-methyl-dec-6-en-8-yn-1-one

1-[2-allyloxy-4-(7-bromo-1,1-dimethyl-heptyl)-6-hydroxy-phenyl]-10-(tert-butyl-dimethyl-silanyloxy)-7-methyl-dec-6-en-8-yne-1,3-diol