1,2-Dimethoxy-4-propylbenzene

Base Information

• Chemical Name: 1,2-Dimethoxy-4-propylbenzene
• CAS No.: 5888-52-8
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• UNII: V1O06LO267
• DSSTox Substance ID: DTXSID50207582
• Nikkaji Number: J308.065J
• Wikidata: Q27291416
• Mol file: 5888-52-8.mol

Synonyms:1,2-dimethoxy-4-propylbenzene;3,4-dimethoxyphenylpropane

Chemical Property of 1,2-Dimethoxy-4-propylbenzene

Chemical Property:

• Vapor Pressure: 5.37E-11mmHg at 25°C
• Refractive Index: 1.538
• Boiling Point: 245.3 °C at 760 mmHg
• Flash Point: 85.9 °C
• PSA: 18.46000
• Density: 0.965 g/cm³
• LogP: 2.65630
• Storage Temp.: -20°C, Inert atmosphere
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=C(C=C1)OC)OC
• Uses: 1,2-Dimethoxy-4-propylbenzene can be used for ozone treatments on the aroma characteristics of Puer tea.

Technology Process of 1,2-Dimethoxy-4-propylbenzene

There total 54 articles about 1,2-Dimethoxy-4-propylbenzene 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: 69.0%

C20H24O6 → 3-(3,4-dimethoxyphenyl)-1-propanol (3929-47-3) + 4-propyl-1,2-dimethoxybenzene (5888-52-8) + Acetic acid 3-(3,4-dimethoxy-phenyl)-propyl ester (100699-21-6) + 2-methoxy-phenol (90-05-1)

Guidance literature:

With palladium on activated charcoal; hydrogen; lanthanum(lll) triflate; In 1,2-dichloro-ethane; at 140 ℃; for 16h; under 31029.7 Torr;

DOI:10.1021/acscatal.5b01972

Reference yield: 51.0%

2-methoxy-4-n-propylphenol (2785-87-7) → 4-n-Propylphenol (645-56-7) + phenylpropane (103-65-1) + 2-methyl-4-propylphenol (18441-56-0) + 4-propyl-1,2-dimethoxybenzene (5888-52-8)

Guidance literature:

With hydrogen; In toluene; at 319.84 ℃; for 2h; under 22502.3 Torr; Reagent/catalyst;

DOI:10.1002/anie.201814284

Reference yield: 37.0%

[1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)-1,3-dihydroxypropane] (22676-00-2) → 3-(3,4-dimethoxyphenyl)-1-propanol (3929-47-3) + 4-propyl-1,2-dimethoxybenzene (5888-52-8)

Guidance literature:

[1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)-1,3-dihydroxypropane]; With 5%-palladium/activated carbon; ammonium formate; In water; ethyl acetate; for 24h; Heating;

With formic acid; In water; ethyl acetate; for 12h; Heating;

DOI:10.1002/cctc.201300540

upstream raw materials:

1,2-dimethoxy-4-(2-propenyl)benzene

ethyl 3,4-dimethoxyphenyl ketone

2-methoxy-4-n-propylphenol

dimethyl sulfate

Downstream raw materials:

4-(4,5-dimethoxy-2-propyl-phenyl)-4-oxo-butyric acid

bis-(4,5-dimethoxy-2-propyl-phenyl)-methane

1-chloromethyl-4,5-dimethoxy-2-propyl-benzene

(R)-1-phenyl-2,2,2-trichloroethyl (R)-1-(3,4-dimethoxyphenyl)propylcarbamate

Refernces

• 1、 Chen, Changzhou,Jiang, Jianchun,Li, Jing,Liu, Peng,Wu, Dichao,Xia, Haihong,Zhou, Minghao. "Eco-friendly preparation of ultrathin biomass-derived Ni3S2-doped carbon nanosheets for selective hydrogenolysis of lignin model compounds in the absence of hydrogen". . p. 3090 - 3103. Retrieved 2021/05/07.
• 2、 Ishida, Naoki,Kamae, Yoshiki,Ishizu, Keigo,Kamino, Yuka,Naruse, Hiroshi,Murakami, Masahiro. "Sustainable System for Hydrogenation Exploiting Energy Derived from Solar Light". supporting information. p. 2217 - 2220. Retrieved 2021/02/16.