2',4',6'-Trimethoxypropiophenone

Base Information

• Chemical Name: 2',4',6'-Trimethoxypropiophenone
• CAS No.: 834-94-6
• Molecular Formula: C12H16 O4
• Molecular Weight: 224.257
• Hs Code.: 2914509090
• European Community (EC) Number: 212-638-9
• DSSTox Substance ID: DTXSID20232321
• Nikkaji Number: J195.105J
• Wikidata: Q83113343
• Mol file: 834-94-6.mol

Synonyms:2',4',6'-Trimethoxypropiophenone;834-94-6;EINECS 212-638-9;1-(2,4,6-trimethoxyphenyl)propan-1-one;1-(2,4,6-trimethoxyphenyl)-1-propanone;SCHEMBL8546247;DTXSID20232321

Chemical Property of 2',4',6'-Trimethoxypropiophenone

Chemical Property:

• Melting Point: 84.5–85°C
• Boiling Point: 356.1oC at 760 mmHg
• Flash Point: 157.5oC
• PSA: 44.76000
• Density: 1.07g/cm3
• LogP: 2.30510
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=C(C=C(C=C1OC)OC)OC

Technology Process of 2',4',6'-Trimethoxypropiophenone

There total 9 articles about 2',4',6'-Trimethoxypropiophenone 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: 98.0%

1-(2,4,6-trimethoxyphenyl)prop-2-en-1-ol (1097259-11-4) → 1-(2,4,6-trimethoxyphenyl)propan-1-one (834-94-6)

Guidance literature:

With tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) hexafluorophosphate; potassium carbonate; In acetonitrile; for 1h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2008.09.095

Reference yield: 85.0%

1,2,3-trimethoxybenzene (621-23-8) + propionyl chloride (79-03-8) → 1-(2,4,6-trimethoxyphenyl)propan-1-one (834-94-6)

Guidance literature:

With aluminum (III) chloride; zinc(II) chloride; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1007/s00044-021-02828-0

Reference yield: 75.0%

(E)-2-(3-chloroprop-1-enyl)-1,3,5-trimethoxybenzene (1041954-92-0) → 1-(2,4,6-trimethoxyphenyl)propan-1-one (834-94-6)

Guidance literature:

With potassium carbonate; phenylboronic acid; [Ru(cyclopentadienyl)(MeCN)3]PF₆; In acetonitrile; at 20 ℃; for 16h;

DOI:10.1039/b801159a

upstream raw materials:

1,2,3-trimethoxybenzene

propionyl chloride

propionic acid

(E)-1,3,5-trimethoxy-2-(prop-1-en-1-yl)benzene

Refernces

• 1、 Border, Zola-Michele,Marais, Charlene,Bezuidenhoudt, Barend C. B.,Steenkamp, Jacobus A.. "Studies towards the stereoselective α-hydroxylation of flavanones. Biosynthetic significance". . p. 122 - 130. Retrieved 2008/04/11.
• 2、 Bouziane, Asmae,Helou, Marion,Carboni, Bertrand,Carreaux, Francois,Demerseman, Bernard,Bruneau, Christian,Renaud, Jean-Luc. "Ruthenium-catalyzed synthesis of allylic alcohols: Boronic acid as a hydroxide source". experimental part. p. 5630 - 5637. Retrieved 2009/05/27.