2',4'-Dihydroxypropiophenone

Base Information

• Chemical Name: 2',4'-Dihydroxypropiophenone
• CAS No.: 5792-36-9
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• Hs Code.: 29145090
• European Community (EC) Number: 227-329-4,918-482-4
• NSC Number: 34096
• UNII: UXV5BK8TF2
• DSSTox Substance ID: DTXSID90206630
• Nikkaji Number: J218.052I
• Wikidata: Q27452971
• ChEMBL ID: CHEMBL539379
• Mol file: 5792-36-9.mol

Synonyms:2',4'-Dihydroxypropiophenone;5792-36-9;1-(2,4-dihydroxyphenyl)propan-1-one;2,4-Dihydroxypropiophenone;4-Propionylresorcinol;1-Propanone, 1-(2,4-dihydroxyphenyl)-;1-(2,4-Dihydroxy-Phenyl)-Propan-1-One;EINECS 227-329-4;NSC-34096;1-(2,4-Dihydroxyphenyl)-1-propanone;respropiophenone;NSC34096;UXV5BK8TF2;SCHEMBL481085;2',4'-dihydroxy-propiophenone;CHEMBL539379;2/',4/'-Dihydroxypropiophenone;2\',4\'-Dihydroxypropiophenone;BDBM33221;DTXSID90206630;2,4-Dihydroxyphenyl Ethyl Ketone;MFCD00002280;NSC 34096;2',4'-Dihydroxypropiophenone, 99%;AKOS000112431;HR-0357;1-(2,4-Dihydroxyphenyl)-1-propanone #;CS-0310660;D2694;FT-0610127;D90098;AE-562/40724473;Q27452971;2FY

Chemical Property of 2',4'-Dihydroxypropiophenone

Chemical Property:

• Appearance/Colour: yellow powder
• Melting Point: 97-100 oC
• Refractive Index: 1.5260 (estimate)
• Boiling Point: 328 °C at 760 mmHg
• PKA: 8.03±0.40(Predicted)
• Flash Point: 166.4 °C
• PSA: 57.53000
• Density: 1.237 g/cm³
• LogP: 1.69050
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

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

2',4'-Dihydroxypropiophenone >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2',4'-Dihydroxypropiophenone

There total 12 articles about 2',4'-Dihydroxypropiophenone 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: 88.5%

propionic acid anhydride (123-62-6) + recorcinol (108-46-3) → 2',4'-dihydroxypropiophenone (5792-36-9)

Guidance literature:

With boron trifluoride diethyl etherate; at 90 ℃; for 16h;

DOI:10.1016/j.bmcl.2020.127528

Reference yield: 82.0%

propionic acid (802294-64-0,79-09-4) + recorcinol (108-46-3) → 2',4'-dihydroxypropiophenone (5792-36-9)

Guidance literature:

With zinc(II) chloride; at 140 - 150 ℃; for 2h;

DOI:10.1016/j.bmcl.2017.01.047

Reference yield: 73.0%

propionyl chloride (79-03-8) + recorcinol (108-46-3) → 2',4'-dihydroxypropiophenone (5792-36-9)

Guidance literature:

With aluminium trichloride; In nitrobenzene;

upstream raw materials:

1,3-bis(propanoyloxy)benzene

propionic acid

recorcinol

propionic acid anhydride

Downstream raw materials:

7-hydroxy-3-methyl-2-styrylchromone

1-(3,5-dichloro-2,4-dihydroxy-phenyl)-propan-1-one

1-(3,5-dibromo-2,4-dihydroxy-phenyl)-propan-1-one

2,4-dihydroxy-5-nitropropiophenone

Refernces

• 1、 Chen, Yikun,Gao, Yongxin,He, Yujun,Zhang, Gang,Wen, Hui,Wang, Yuchen,Wu, Qin-Pei,Cui, Huaqing. "Determining Essential Requirements for Fluorophore Selection in Various Fluorescence Applications Taking Advantage of Diverse Structure-Fluorescence Information of Chromone Derivatives". . p. 1001 - 1017. Retrieved 2021/01/09.
• 2、 Schmidt, Nina G.,Pavkov-Keller, Tea,Richter, Nina,Wiltschi, Birgit,Gruber, Karl,Kroutil, Wolfgang. "Biocatalytic Friedel–Crafts Acylation and Fries Reaction". supporting information. p. 7615 - 7619. Retrieved 2017/06/13.