3-Chloro-1-(3,4-dimethoxyphenyl)propan-1-one

Base Information

• Chemical Name: 3-Chloro-1-(3,4-dimethoxyphenyl)propan-1-one
• CAS No.: 4693-38-3
• Molecular Formula: C11H13 Cl O3
• Molecular Weight: 228.675
• Hs Code.: 2914700090
• NSC Number: 55772
• DSSTox Substance ID: DTXSID90288411
• Wikidata: Q72518619
• Mol file: 4693-38-3.mol

Synonyms:3-chloro-1-(3,4-dimethoxyphenyl)propan-1-one;4693-38-3;1-Chloro-3-(3,4-dimethoxyphenyl)-3-oxopropane;MFCD00510412;1-Propanone,3-chloro-1-(3,4-dimethoxyphenyl)-;NSC55772;SCHEMBL982556;DTXSID90288411;GLABCVXPGIHMGU-UHFFFAOYSA-N;NSC-55772;AKOS000277351;3-chloro-3',4'-dimethoxypropiophenone;BS-17322;BB 0257753;CS-0150591;D84179

Chemical Property of 3-Chloro-1-(3,4-dimethoxyphenyl)propan-1-one

Chemical Property:

• Boiling Point: 348.7°Cat760mmHg
• Flash Point: 145.7°C
• PSA: 35.53000
• Density: 1.161g/cm³
• LogP: 2.51540
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

98% ^*data from raw suppliers

3-Chloro-1-(3,4-dimethoxyphenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)CCCl)OC

Technology Process of 3-Chloro-1-(3,4-dimethoxyphenyl)propan-1-one

There total 6 articles about 3-Chloro-1-(3,4-dimethoxyphenyl)propan-1-one 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: 90.0%

→ 3-chloro-1-(3,4-dimethoxyphenyl)propan-1-one (4693-38-3)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 5 ℃; for 0.5h;

In dichloromethane; at 5 - 20 ℃; for 3h;

Reference yield: 65.5%

1,2-dimethoxybenzene (91-16-7) + 2-chloropropionyl chloride (625-36-5) → 3-chloro-1-(3,4-dimethoxyphenyl)propan-1-one (4693-38-3)

Guidance literature:

2-chloropropionyl chloride; With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 0.5h;

1,2-dimethoxybenzene; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1039/d0ob02226h

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) → 3-chloro-1-(3,4-dimethoxyphenyl)propan-1-one (4693-38-3)

Guidance literature:

With diethyl ether; at 0 ℃;

DOI:10.1021/ja01246a043

upstream raw materials:

1,2-dimethoxybenzene

2-chloropropionyl chloride

diazomethane

Downstream raw materials:

methyl 3,4-dimethoxybenzoate

1-(3,4-dimethoxyphenyl)prop-2-en-1-one

Refernces

• 1、 Kobayashi, Shoji,Tamura, Tomoki,Yoshimoto, Saki,Kawakami, Takashi,Masuyama, Araki. "4-Methyltetrahydropyran (4-MeTHP): Application as an Organic Reaction Solvent". . p. 3921 - 3937. Retrieved 2019/11/11.
• 2、 Chaturvedi, Radha Nandan,Pendem, Krishnaiah,Patel, Vipul P.,Sharma, Mukta,Malhotra, Sunita. "Design, synthesis, molecular docking, and in vitro antidiabetic activity of novel PPARγ agonist". . p. 2069 - 2084. Retrieved 2018/08/22.