2',5'-Dihydroxypropiophenone

Base Information

• Chemical Name: 2',5'-Dihydroxypropiophenone
• CAS No.: 938-46-5
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• Hs Code.: 2914501900
• European Community (EC) Number: 213-343-8
• NSC Number: 87567
• UNII: MZ5ZW5SJ67
• DSSTox Substance ID: DTXSID60239657
• Nikkaji Number: J51.109I
• Wikidata: Q83122059
• Mol file: 938-46-5.mol

Synonyms:2',5'-Dihydroxypropiophenone;938-46-5;1-(2,5-dihydroxyphenyl)propan-1-one;2,5-Dihydroxypropiophenone;1-Propanone, 1-(2,5-dihydroxyphenyl)-;Propiophenone, 2',5'-dihydroxy-;EINECS 213-343-8;NSC 87567;BRN 1938824;MZ5ZW5SJ67;NSC-87567;NSC87567;UNII-MZ5ZW5SJ67;WLN: QR DQ BV2;Propiophenone,5'-dihydroxy-;SCHEMBL1129352;1-Propanone,5-dihydroxyphenyl)-;DTXSID60239657;MFCD00016465;AKOS002392970;1-(2,5-Dihydroxyphenyl)-1-propanone;1-(2,5-Dihydroxyphenyl)-1-propanone #;LS-125155;CS-0256650;FT-0610385;EN300-6504460;A844721

Chemical Property of 2',5'-Dihydroxypropiophenone

Chemical Property:

• Appearance/Colour: yellowish crystalline powder
• Melting Point: 95-99 °C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 336.8°Cat760mmHg
• PKA: 8.96±0.48(Predicted)
• Flash Point: 171.7°C
• PSA: 57.53000
• Density: 1.237g/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:

99% ^*data from raw suppliers

2',5'-DIHYDROXYPROPIOPHENONE Aldrich ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2',5'-Dihydroxypropiophenone

There total 11 articles about 2',5'-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: 91.0%

2-Oxobutyric acid (600-18-0) + p-benzoquinone (106-51-4) → 2',5'-dihydroxypropiophenone (938-46-5)

Guidance literature:

With ammonium persulfate; silver nitrate; In water; acetonitrile; at 70 ℃; for 2h;

DOI:10.1016/S0040-4039(98)00734-5

Reference yield: 52.0%

propionic acid (802294-64-0,79-09-4) + hydroquinone (123-31-9,8027-02-9) → 2',5'-dihydroxypropiophenone (938-46-5)

Guidance literature:

With boron trifluoride diethyl etherate; In chlorobenzene; at 80 ℃;

DOI:10.1016/j.foodchem.2020.126701

Reference yield: 42.0%

hydroquinone dipropionate ester (7402-28-0) → 2',5'-dihydroxypropiophenone (938-46-5)

Guidance literature:

With boron trifluoride-butyl ether complex; for 1h; Heating;

DOI:10.1021/jo000412q

upstream raw materials:

hydroquinone dipropionate ester

Propansaeure-(4-methoxyphenyl)ester

propionyl chloride

hydroquinone

Refernces

• 1、 Cortés, Iván,di Liberto, Melina G.,Kaufman, Teodoro S.,Derita, Marcos G.,Bracca, Andrea B.J.. "Synthesis and evaluation of aromatic methoxime derivatives against five postharvest phytopathogenic fungi of fruits. Main structure–activity relationships". . . Retrieved 2020/04/15.
• 2、 Martínez-Cifuentes, Maximiliano,Monroy-Cárdenas, Matías,Millas-Vargas, Juan Pablo,Weiss-López, Boris E.,Araya-Maturana, Ramiro. "Assessing parameter suitability for the strength evaluation of intramolecular resonance assisted hydrogen bonding in O-carbonyl hydroquinones". . . Retrieved 2019/02/01.