Benzene, (1,1,6,6-tetramethoxyhexyl)-

Base Information

• Chemical Name: Benzene, (1,1,6,6-tetramethoxyhexyl)-
• CAS No.: 176853-30-8
• Molecular Formula: C16H26O4
• Molecular Weight: 282.38
• DSSTox Substance ID: DTXSID30445167
• Nikkaji Number: J728.579E
• Mol file: 176853-30-8.mol

Synonyms:Benzene, (1,1,6,6-tetramethoxyhexyl)-;176853-30-8;DTXSID30445167;1,1,6,6-Tetramethoxy-1-phenylhexane

Chemical Property of Benzene, (1,1,6,6-tetramethoxyhexyl)-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 282.18310931
• Heavy Atom Count: 20
• Complexity: 231

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CCCCC(C1=CC=CC=C1)(OC)OC)OC

Technology Process of Benzene, (1,1,6,6-tetramethoxyhexyl)-

There total 1 articles about Benzene, (1,1,6,6-tetramethoxyhexyl)- 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: 58.0%

methanol (67-56-1) + 1-Phenylcyclohexene (771-98-2) → 6,6-dimethoxy-6-phenylhexanal dimethyl acetal (176853-30-8) + cis-1,2-dimethoxy-1-phenylcyclohexane + trans-1,2-dimethoxy-1-phenylcyclohexane

Guidance literature:

With tetrabutylammonium tetrafluoroborate; at 60 ℃; Yields of byproduct given; electrolysis; other reagents: KF, CF₃COONa, TsONa;

DOI:10.1021/jo951948s

Reference yield: 94.0%

6,6-dimethoxy-6-phenylhexanal dimethyl acetal (176853-30-8) → 4-benzoylpentanal dimethylacetal (184680-03-3)

Guidance literature:

With sulfuric acid; In water; at 20 ℃; for 0.333333h;

DOI:10.1007/BF01457781

Reference yield: 92.0%

6,6-dimethoxy-6-phenylhexanal dimethyl acetal (176853-30-8) → 6-oxo-6-phenylhexanal (87258-30-8)

Guidance literature:

With sulfuric acid; In water; at 50 ℃; for 2h;

DOI:10.1007/BF01457781

upstream raw materials:

methanol

1-Phenylcyclohexene

Downstream raw materials:

6-oxo-6-phenylhexanal

4-benzoylpentanal dimethylacetal