1-(2-Hydroxy-4-methoxyphenyl)propan-1-one

Base Information

• Chemical Name: 1-(2-Hydroxy-4-methoxyphenyl)propan-1-one
• CAS No.: 6270-44-6
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2914509090
• European Community (EC) Number: 621-243-4
• NSC Number: 35524
• DSSTox Substance ID: DTXSID40284089
• Nikkaji Number: J1.552.910E
• Wikidata: Q82018904
• ChEMBL ID: CHEMBL3274367
• Mol file: 6270-44-6.mol

Synonyms:6270-44-6;1-(2-hydroxy-4-methoxyphenyl)propan-1-one;2'-Hydroxy-4'-methoxypropiophenone;NSC35524;1-(2-hydroxy-4-methoxyphenyl)-1-propanone;SCHEMBL2260356;CHEMBL3274367;DTXSID40284089;MFCD04037453;NSC-35524;STK667606;AKOS000112433;AS-62702;2'-Hydroxy-4'-methoxypropiophenone, 97%;CS-0197337;H1207;2-HYDROXY-4-METHOXYPROPIOPHENONE 97;D91015;2'-HYDROXY-4'-METHOXYPROPIOPHENONE 97;AP-065/41884142

Chemical Property of 1-(2-Hydroxy-4-methoxyphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.000247mmHg at 25°C
• Melting Point: 55.5-59.5 °C(lit.)
• Boiling Point: 314.7°C at 760 mmHg
• PKA: 7.87±0.40(Predicted)
• Flash Point: 124°C
• PSA: 46.53000
• Density: 1.126g/cm³
• LogP: 1.99350
• Solubility.: soluble in Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%,99%, ^*data from raw suppliers

2''-Hydroxy-4''-methoxypropiophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-(2-Hydroxy-4-methoxyphenyl)propan-1-one

There total 11 articles about 1-(2-Hydroxy-4-methoxyphenyl)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: 100.0%

2',4'-dihydroxypropiophenone (5792-36-9) + dimethyl sulfate (77-78-1) → 2-hydroxy-4-methoxypropiophenone (6270-44-6)

Guidance literature:

With potassium carbonate; In acetone; for 7h; Heating;

DOI:10.1021/jm060186y

Reference yield: 88.0%

O-methylresorcine (150-19-6) + propionyl chloride (79-03-8) → 2-hydroxy-4-methoxypropiophenone (6270-44-6)

Guidance literature:

With boron trifluoride diethyl etherate; In toluene; at 80 - 85 ℃;

DOI:10.1016/j.ejmech.2011.02.025

Reference yield: 56.0%

O-methylresorcine (150-19-6) + propionaldehyde (123-38-6) → 2-hydroxy-4-methoxypropiophenone (6270-44-6)

Guidance literature:

With [(C₆H₆)(PCy₃)(CO)RuH]⁺*BF₄^?; potassium carbonate; triphenylphosphine; In chlorobenzene; at 110 ℃; for 12h; regioselective reaction; Schlenk technique;

DOI:10.1002/ejoc.201403518

upstream raw materials:

2',4'-dihydroxypropiophenone

dimethyl sulfate

7-methoxy-4H-chromen-4-one

(R,S)-3-hydroxy-1-(2-hydroxy-4-methoxyphenyl)-2-methylpropan-1-one

Downstream raw materials:

3-methyl-7-methoxyhomoflavone

4-ethyl-7-methoxy-3-phenyl-coumarin

bis-(4-hydroxy-2-methoxy-5-propionyl-phenyl)-sulfide

(S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-7-methoxy-3-methyl-4-oxo-4H-chromene-2-carboxamide

Refernces

• 1、 Kim, Sang Hoon,Lee, Young Hoon,Jung, Seo Yun,Kim, Hyoung Ja,Jin, Changbae,Lee, Yong Sup. "Synthesis of chromone carboxamide derivatives with antioxidative and calpain inhibitory properties". experimental part. p. 1721 - 1728. Retrieved 2011/05/06.
• 2、 -. "Indole derivative having piperidine ring". Page/Page column 58. . Retrieved 2008/06/13.