3'-Methoxypropiophenone

Base Information

• Chemical Name: 3'-Methoxypropiophenone
• CAS No.: 37951-49-8
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2914509090
• European Community (EC) Number: 253-729-3
• DSSTox Substance ID: DTXSID80191389
• Nikkaji Number: J261.276C
• Wikidata: Q83063909
• Mol file: 37951-49-8.mol

Synonyms:3'-Methoxypropiophenone;37951-49-8;1-(3-methoxyphenyl)propan-1-one;1-Propanone, 1-(3-methoxyphenyl)-;1-(3-methoxy-phenyl)-propan-1-one;EINECS 253-729-3;1-(3-Methoxyphenyl)-1-propanone;3'-Methoxypropiophenon;3`-Methoxypropiophenone;3-methoxyphenyl ethyl ketone;SCHEMBL733307;AMY3962;DTXSID80191389;BCP21927;MFCD08458823;1-(3-Methoxyphenyl)-1-propanone #;AKOS010015726;1-[3-(Methyloxy)phenyl]-1-propanone;GS-4370;SY030430;CS-0005775;FT-0650399;EN300-84052;3 inverted exclamation mark -Methoxypropiophenone;A823948;J-512800;Z513732528

Chemical Property of 3'-Methoxypropiophenone

Chemical Property:

• Refractive Index: 1.5230 (estimate)
• Boiling Point: 245.1 °C at 760 mmHg
• Flash Point: 98.9 °C
• PSA: 26.30000
• Density: 1.016 g/cm³
• LogP: 2.28790
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99%, ^*data from raw suppliers

3''-Methoxypropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC(=CC=C1)OC

Technology Process of 3'-Methoxypropiophenone

There total 27 articles about 3'-Methoxypropiophenone 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: 100.0%

ethylmagnesium bromide (925-90-6) + N,3‐dimethoxy‐N‐methylbenzamide (152121-82-9) → 1-(3-methoxyphenyl)propan-1-one (37951-49-8)

Guidance literature:

ethylmagnesium bromide; N,3‐dimethoxy‐N‐methylbenzamide; In tetrahydrofuran; at 0 - 20 ℃; for 3.5h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.08.121

Reference yield: 99.0%

1-(3-hydroxyphenyl)propan-1-one (13103-80-5) + methyl iodide (74-88-4) → 1-(3-methoxyphenyl)propan-1-one (37951-49-8)

Guidance literature:

1-(3-hydroxyphenyl)propan-1-one; With potassium hydroxide; In acetone; at 40 ℃; for 0.5h;

methyl iodide; With tetrabutylammomium bromide; potassium carbonate; In acetone; at 40 - 45 ℃; for 12h;

Reference yield: 99.0%

1-(3-methoxyphenyl)-2-propen-1-ol (58824-50-3) → 1-(3-methoxyphenyl)propan-1-one (37951-49-8)

Guidance literature:

With Fe(II)(bis(2-(diisopropylphosphino)ethyl)amine)(CO)(H)(Cl); potassium tert-butylate; In toluene; at 80 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201705454

upstream raw materials:

3-methoxybenzonitrile

ethylmagnesium bromide

1-(3-methoxyphenyl)propanol

(3-methoxyphenyl)magnesium bromide

Downstream raw materials:

3-propylanisole

6-(3-methoxyphenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one

4-(3-methoxyphenyl)-3-methyl-4-oxobutanoic acid

6-(3-hydroxyphenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one

Refernces

• 1、 Luo, Nianhua,Zhong, Yuhong,Wen, Huiling,Shui, Hongling,Luo, Renshi. "Iridium Complexes as Efficient Catalysts for Construction of α-Substituted Ketones via Hydrogen Borrowing of Alcohols in Water". . p. 1355 - 1364. Retrieved 2021/03/03.
• 2、 Yao, Qiuli,Liu, Wenbo,Liu, Peng,Ren, Linjing,Fang, Xuehong,Li, Chao-Jun. "Metal-Free Photoinduced Transformation of Aryl Halides and Diketones into Aryl Ketones". supporting information. p. 2721 - 2724. Retrieved 2019/01/14.