3',5'-Dimethoxyacetophenone

Base Information

• Chemical Name: 3',5'-Dimethoxyacetophenone
• CAS No.: 39151-19-4
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29145090
• European Community (EC) Number: 254-322-3
• NSC Number: 46884
• DSSTox Substance ID: DTXSID30959951
• Nikkaji Number: J89.272F
• Wikidata: Q72467567
• Metabolomics Workbench ID: 123616
• ChEMBL ID: CHEMBL1549987
• Mol file: 39151-19-4.mol

Synonyms:3',5'-Dimethoxyacetophenone;39151-19-4;1-(3,5-Dimethoxyphenyl)ethanone;3,5-Dimethoxyacetophenone;1-(3,5-Dimethoxyphenyl)ethan-1-one;Ethanone, 1-(3,5-dimethoxyphenyl)-;EINECS 254-322-3;MLS000084838;MFCD00008739;SMR000019184;Acetophenone, 3',5'-dimethoxy- (6CI,7CI);3 inverted exclamation marka,5 inverted exclamation marka-Dimethoxyacetophenone;NSC46884;Opera_ID_1889;3.5-dimethoxyacetophenone;SCHEMBL863160;3',5'-dimethoxy acetophenone;1-(35-Dimethoxyphenyl)ethanone;3'',5''-Dimethoxyacetophenone;3\',5\'-Dimethoxyacetophenone;CHEMBL1549987;YJKHOUIVWKQRSL-UHFFFAOYSA-;DTXSID30959951;Acetophenone, 3',5'-dimethoxy-;HMS2358H16;AMY14468;1-(3,5-dimethoxy-phenyl)-ethanone;1-(3,5-Dimethoxyphenyl)ethanone #;3',5'-Dimethoxyacetophenone, 97%;NSC 46884;NSC-46884;AKOS001600274;AB00953;CS-W021211;FS-1676;HY-W040471;AC-15468;LS-67386;SY013480;ethyl?imidazo[1,2-a]pyridine-2-carboxylate;EU-0034836;FT-0614638;EN300-117166;W11377;A824428;SR-01000400505;SR-01000400505-1;W-106456;3',5'-Dimethoxyacetophenone 3,5-Dimethoxyacetophenone;3 inverted exclamation mark ,5 inverted exclamation mark -Dimethoxyacetophenone

Chemical Property of 3',5'-Dimethoxyacetophenone

Chemical Property:

• Appearance/Colour: white to light yellow crystals or crystalline powder
• Melting Point: 33-34 °C(lit.)
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 290.5 °C at 760 mmHg
• Flash Point: 109 °C
• PSA: 35.53000
• Density: 1.066 g/cm³
• LogP: 1.90640
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

98% ^*data from raw suppliers

1-(3,5-Dimethoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC(=C1)OC)OC
• Uses: 3',5'-Dimethoxyacetophenone is used as starting reagent in the synthesis of 5,7-dimethoxy-3-methylindazole1. It was used in the synthesis of (R)-(+)-1-(3,5-dimethoxyphenyl)ethyl acetate-ether-180.

Technology Process of 3',5'-Dimethoxyacetophenone

There total 32 articles about 3',5'-Dimethoxyacetophenone 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%

rac-1-(3,5-dimethoxyphenyl)ethan-1-ol (14950-55-1) → 1-(3,5-dimethoxyphenyl)ethan-1-one (39151-19-4)

Guidance literature:

With jones reagent; In acetone; for 0.5h; Ambient temperature;

DOI:10.1021/ja00203a022

Reference yield: 93.8%

3,5-dihydroxyacetophenone (51863-60-6) + dimethyl sulfate (77-78-1) → 1-(3,5-dimethoxyphenyl)ethan-1-one (39151-19-4)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 1h;

DOI:10.1248/cpb.58.1492

Reference yield: 91.0%

acetyl chloride (75-36-5) + 1,3-Dimethoxybenzene (151-10-0) → 1-(3,5-dimethoxyphenyl)ethan-1-one (39151-19-4)

Guidance literature:

antimonypentachloride; N-benzyl-N,N,N-triethylammonium chloride; In nitromethane; for 0.333333h; Heating;

DOI:10.1002/adsc.200303233

upstream raw materials:

diazomethane

3,5-dimethoxybenzoyl chloride

methyl magnesium iodide

3,5-dimethoxybenzamide

Downstream raw materials:

[4-(3,5-Dimethoxy-phenyl)-pentyl]-dimethyl-amine

Lithium; 2-(3,5-dimethoxy-phenyl)-hexan-2-olate

6-(3,5-Dimethoxy-phenyl)-2-oxo-1,2-dihydro-pyridine-3-carbonitrile

1-Ethynyl-3,5-dimethoxy-benzene

Refernces

• 1、 -. "FGFR4 INHIBITOR AND PREPARATION METHOD AND USE THEREOF". Paragraph 0269-0272. . Retrieved 2019/10/10.
• 2、 Antenucci, Achille,Flamini, Piergiorgio,Fornaiolo, Marco Valerio,Di Silvio, Sergio,Mazzetti, Sara,Mencarelli, Paolo,Salvio, Riccardo,Bassetti, Mauro. "Iron(III)-Catalyzed Hydration of Unactivated Internal Alkynes in Weak Acidic Medium, under Lewis Acid-Assisted Br?nsted Acid Catalysis". . p. 4517 - 4526. Retrieved 2019/08/26.