1,3,5-Trimethoxy-2-propylbenzene

Base Information

• Chemical Name: 1,3,5-Trimethoxy-2-propylbenzene
• CAS No.: 2215-97-6
• Molecular Formula: C12H18O3
• Molecular Weight: 210.273
• DSSTox Substance ID: DTXSID101302141
• Nikkaji Number: J2.511.490F
• Mol file: 2215-97-6.mol

Synonyms:1,3,5-Trimethoxy-2-propylbenzene;2215-97-6;SCHEMBL8009626;TXNCNQDEXNPPPB-UHFFFAOYSA-N;DTXSID101302141;2-Propyl-1,3,5-trimethoxybenzene;AC5636;MFCD22055579;SY225470;A919885

Chemical Property of 1,3,5-Trimethoxy-2-propylbenzene

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 210.125594432
• Heavy Atom Count: 15
• Complexity: 158

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=C(C=C(C=C1OC)OC)OC

Technology Process of 1,3,5-Trimethoxy-2-propylbenzene

There total 9 articles about 1,3,5-Trimethoxy-2-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: 99.0%

2,4,6-trimethoxybenzaldehyde (830-79-5) → 2-n-propyl-1,3,5-trimethoxybenzene (2215-97-6)

Guidance literature:

2,4,6-trimethoxybenzaldehyde; Et-X (X=MgBr or Li); In diethyl ether; at -78 - 20 ℃;

With triethylsilane; trifluoroacetic acid; In dichloromethane; at -78 - 20 ℃;

DOI:10.1021/jm060692n

Reference yield: 92.0%

1,2,3-trimethoxybenzene (621-23-8) + propionaldehyde (123-38-6) → 2-n-propyl-1,3,5-trimethoxybenzene (2215-97-6)

Guidance literature:

With polymethylhydrosiloxane; tris(pentafluorophenyl)borate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2009.09.085

Reference yield: 53.0%

1,2,3-trimethoxybenzene (621-23-8) + propionaldehyde (123-38-6) → 2-n-propyl-1,3,5-trimethoxybenzene (2215-97-6) + 1,3,5-trimethoxy-2-(1-hydroxypropyl)benzene (834-93-5)

Guidance literature:

With aluminum tri-bromide; In dichloromethane; at 0 - 20 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c4ob02597k

upstream raw materials:

1-(2,4,6-trimethoxyphenyl)propan-2-one

1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one

dimethyl sulfate

ethylmagnesium bromide

Downstream raw materials:

3-n-propyl-2,4,6-trimethoxyacetophenone

3-n-propyl-2,4,6-trihydroxyacetophenone

8-n-propyl-5,7,4'-tris(methoxymethoxy)flavanone

3-n-propyl-2-hydroxy-4,6-bis(methoxymethoxy)acetophenone

Refernces

• 1、 Chandrasekhar,Khatun, Sanjida,Rajesh,Raji Reddy. "B(C6F5)3: an efficient catalyst for reductive alkylation of alkoxy benzenes and for synthesis of triarylmethanes using aldehydes". experimental part. p. 6693 - 6697. Retrieved 2010/01/18.
• 2、 -. "Antibacterial agents". . . Retrieved 2008/06/13.