3'-Methoxyacetophenone

Base Information

• Chemical Name: 3'-Methoxyacetophenone
• CAS No.: 586-37-8
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 29145000
• European Community (EC) Number: 209-573-3
• NSC Number: 65593
• UNII: 1K3UR56Z4N
• DSSTox Substance ID: DTXSID10207321
• Nikkaji Number: J90.770G
• Wikidata: Q27252520
• Mol file: 586-37-8.mol

Synonyms:3'-Methoxyacetophenone;586-37-8;3-Methoxyacetophenone;3-Acetylanisole;1-(3-METHOXYPHENYL)ETHANONE;m-Methoxyacetophenone;Ethanone, 1-(3-methoxyphenyl)-;1-(3-Methoxyphenyl)ethan-1-one;NSC 65593;Acetophenone, m-methoxy-;Acetophenone, 3'-methoxy-;1-(3-methoxy-phenyl)-ethanone;MFCD00008736;meta-Methoxyacetophenone;UNII-1K3UR56Z4N;1K3UR56Z4N;EINECS 209-573-3;NSC-65593;m-Acetylanisole;AI3-26011;m-Acetanisole;3-METHOXYACETOPHENONE (D3);1-Acetyl-3-methoxybenzene;3-acetanisole;3-Acetoanisole;m-Metoxyacetophenone;m-Methoxy acetophenone;3-methoxy acetophenone;3/'-Methoxyacetophenone;3\'-Methoxyacetophenone;3-Methoxy-1-acetylbenzene;NCIOpen2_000067;SCHEMBL52445;Methyl 3-methoxyphenyl ketone;(3-methoxyphenyl)acetoaldehyde;1-(3-methoxyphenyl)-ethanone;3'-Methoxyacetophenone, 97%;1-(3-Methoxyphenyl)ethanone #;SCHEMBL12015247;1-[3-(methyloxy)phenyl]ethanone;DTXSID10207321;AMY21870;NSC65593;STK802448;AKOS000119490;CS-W020599;PS-5287;AC-10020;SY003673;FT-0615980;M0104;EN300-16173;L10020;3 inverted exclamation mark -Methoxyacetophenone;3'-Methoxyacetophenone, purum, >=95.0% (GC);A831958;1-(3-methoxyphenyl)ethanone;W-105375;Q27252520;Z54179675;F0001-1530;RIVASTIGMINE HYDROGEN TARTRATE IMPURITY H [EP IMPURITY]

Chemical Property of 3'-Methoxyacetophenone

Chemical Property:

• Appearance/Colour: clear slightly yellow to slightly brown liquid
• Vapor Pressure: 2.41-10.665Pa at 20-25℃
• Melting Point: -7 °C
• Refractive Index: n20/D 1.542(lit.)
• Boiling Point: 240 °C at 760 mmHg
• Flash Point: 91.2 °C
• PSA: 26.30000
• Density: 1.035 g/cm³
• LogP: 1.89780
• Storage Temp.: Store below +30°C.
• Sensitive.: Light Sensitive
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: Fully miscible in water. Soluble in alcohol.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

3''-Methoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/38-22-36/37/38
• Safety Statements: 23-24/25-37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: CC(=O)C1=CC(=CC=C1)OC
• Uses: It is applied in the asymmetric transfer hydrogenation of ketones catalyzed by ruthenium(II) complexes.

Technology Process of 3'-Methoxyacetophenone

There total 124 articles about 3'-Methoxyacetophenone 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%

1-(3-methoxy)-phenylethanol (89691-63-4,120523-12-8,129940-69-8,23308-82-9) → 1-(3-Methoxyphenyl)ethanone (586-37-8)

Guidance literature:

With [(2-(benzoimidazol-2-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridine)RuCl₂(PPh₃)]; potassium tert-butylate; acetone; In methanol; at 56 ℃; for 0.0833333h; under 750.075 Torr; Catalytic behavior; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.01.072

Reference yield: 96.0%

2-bromo-3'-methoxyacetophenone (5000-65-7) → 1-(3-Methoxyphenyl)ethanone (586-37-8)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-ethyl-N,N-diisopropylamine; In water; at 20 ℃; for 8h; Irradiation; Inert atmosphere;

DOI:10.1002/cjoc.202100293

Reference yield: 93.0%

(Z)-3-((2-hydroxyphenyl)amino)-1-(3-methoxyphenyl)-3-phenylprop-2-en-1-one → 2-phenylbenzo[d]oxazole (833-50-1) + 1-(3-Methoxyphenyl)ethanone (586-37-8)

Guidance literature:

With trifluoroacetic acid; In 1,2-dichloro-ethane; at 100 ℃; for 12h; regioselective reaction; Mechanism;

DOI:10.1016/j.tet.2019.130818

upstream raw materials:

3-(1-methylethenyl)anisole

1-(3-methoxy)-phenylethanol

methyl 3-(3-methoxyphenyl)-3-oxopropanoate

ethyl acetoacetate

Downstream raw materials:

1,5-bis-(3-methoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-pentane-1,5-dione

(E)-1-(3-methoxyphenyl)-3-phenylprop-2-en-1-one

(2E)-1-(3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

2-(3-methyoxyphenyl)-2-methyl-1,3-dioxolane

Refernces

• 1、 Du, Dongdong,Luo, Junfei,Shi, Sanshan,Xie, Pan,Xue, Cheng. "Decatungstate-mediated solar photooxidative cleavage of CC bonds using air as an oxidant in water". . p. 5936 - 5943. Retrieved 2021/08/23.
• 2、 Uraguchi, Daisuke,Kato, Kohsuke,Ooi, Takashi. "o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions". . p. 2778 - 2783. Retrieved 2021/03/14.