1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene

Base Information

• Chemical Name: 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene
• CAS No.: 60526-81-0
• Molecular Formula: C17H28 O2
• Molecular Weight: 264.408
• Hs Code.: 2909309090
• European Community (EC) Number: 262-280-2
• UNII: D8C2EH6NAX
• DSSTox Substance ID: DTXSID20209270
• Nikkaji Number: J268.216H
• Wikidata: Q72470547
• Mol file: 60526-81-0.mol

Synonyms:60526-81-0;1,3-dimethoxy-5-(2-methyloctan-2-yl)benzene;1-(1,1-Dimethylheptyl)-3,5-dimethoxybenzene;EINECS 262-280-2;Benzene, 1-(1,1-dimethylheptyl)-3,5-dimethoxy-;5-(1,1-Dimethylheptyl)-1,3-dimethoxybenzene;D8C2EH6NAX;3-(1,1-DIMETHYL-HEPTYL)-5-METHOXYANISOLE;UNII-D8C2EH6NAX;H-LYS-NH2dihydrochloride;SCHEMBL5425933;DTXSID20209270;MFCD04974108;AKOS015890350;AS-10087;AM20040824;FT-0654056;(1',1'-dimethylheptyl)-3,5-dimethoxybenzene;1-(1',1'-dimethylheptyl) 3,5-dimethoxybenzene;A832764;1-(1,1-Dimethylheptyl)-3,5-dimethoxybenzene, 97%

Chemical Property of 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene

Chemical Property:

• Vapor Pressure: 0.000108mmHg at 25°C
• Refractive Index: n20/D 1.500(lit.)
• Boiling Point: 122 °C0.5 mm Hg(lit.)
• Flash Point: >110 ºC
• PSA: 18.46000
• Density: 0.943
• LogP: 4.95180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 264.208930132
• Heavy Atom Count: 19
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC(C)(C)C1=CC(=CC(=C1)OC)OC

Technology Process of 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene

There total 26 articles about 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene 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%

4-(1',1'-dimethylheptyl)-2,6-dimethoxyphenyl diethylphosphate (60526-75-2) → 1-(1',1'-dimethylheptyl)-3,5-dimethoxybenzene (60526-81-0)

Guidance literature:

With ammonia; lithium; at -70 - -50 ℃;

4-(1',1'-dimethylheptyl)-2,6-dimethoxyphenyl diethylphosphate; In tetrahydrofuran; dipentyl ether; at -70 ℃; for 3h;

Reference yield: 82.0%

trifluoromethanesulfonic acid 4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl ester (866398-16-5) → 1-(1',1'-dimethylheptyl)-3,5-dimethoxybenzene (60526-81-0)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; at 20 ℃; for 192h; atmospheric pressure;

DOI:10.1021/ol051570c

Reference yield: 80.0%

2,4-Dimethoxy-6-(1,1-dimethylheptyl)-phenol (89244-02-0) → 1-(1',1'-dimethylheptyl)-3,5-dimethoxybenzene (60526-81-0)

Guidance literature:

With Diethyl phosphonate; triethylamine; In tetrachloromethane; at 0 ℃;

DOI:10.1055/s-1983-30624

upstream raw materials:

1-(3,5-dimethoxyphenyl)heptan-1-one

dimethyl zinc(II)

2'-(3,5-dimethoxyphenyl)-2'-methyloctanal

Lithium; 2-(3,5-dimethoxy-phenyl)-octan-2-olate

Downstream raw materials:

(-)-4-<2,6-Dimethoxy-4-(1,1-dimethylheptyl)phenyl>-6,6-dimethylbicyclo<3.1.1>hept-3-en-2-one

5-(1,1-Dimethyl-heptyl)-2-((1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-1,3-dimethoxy-benzene

2,4-Dimethoxy-6-(1,1-dimethylheptyl)-phenol

2-bromo-5-(1,1-dimethylheptyl)-1,3-dimethoxybenzene

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF HU-910 AND CRYSTALLINE STRUCTURE THEREOF". . . Retrieved 2018/05/27.
• 2、 -. "High enantiomeric purity dexanabinol for pharmaceutical compositions". Page/Page column 11. . Retrieved 2010/02/07.