Benzyl 4-hydroxyphenyl ketone

Base Information

• Chemical Name: Benzyl 4-hydroxyphenyl ketone
• CAS No.: 2491-32-9
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 29145000
• European Community (EC) Number: 219-654-5
• NSC Number: 60474
• DSSTox Substance ID: DTXSID30179617
• Nikkaji Number: J191.980F
• Wikidata: Q83050144
• ChEMBL ID: CHEMBL1904584
• Mol file: 2491-32-9.mol

Synonyms:Benzyl 4-hydroxyphenyl ketone;2491-32-9;1-(4-hydroxyphenyl)-2-phenylethanone;1-(4-hydroxyphenyl)-2-phenylethan-1-one;4-Hydroxydeoxybenzoin;Acetophenone, 4'-hydroxy-2-phenyl-;Ethanone, 1-(4-hydroxyphenyl)-2-phenyl-;MLS002693282;4'-Hydroxy-2-phenylacetophenone;EINECS 219-654-5;NSC 60474;Benzyl4-hydroxyphenylketone;4'-Hydroxydeoxybenzoin;NSC60474;4-Hydroxydesoxybenzoin;p-(Phenylacetyl)phenol;Ethanone,1-(4-hydroxyphenyl)-2-phenyl-;Maybridge3_000426;Oprea1_841974;4-hydroxyphenyl benzyl ketone;Benzyl p-hydroxyphenyl ketone;SCHEMBL148710;benzyl 4-hydroxy- phenyl ketone;CHEMBL1904584;DTXSID30179617;CHEBI:192647;HMS1432D08;HMS3080F14;(4-hydroxyphenyl)-2-phenylethanone;CAA49132;Benzyl 4-hydroxyphenyl ketone, 97%;CCG-54101;MFCD00002360;NSC-60474;STK530871;AKOS005463312;1-(4-Hydroxyphenyl)-2-phenyl ethanone;IDI1_011813;1-(4-Hydroxy-phenyl)-2-phenyl-ethanone;AS-64061;SMR000684813;B4722;CS-0146195;FT-0634321;A51012;AH-262/02658019;J-015724;SR-01000643222-1

Chemical Property of Benzyl 4-hydroxyphenyl ketone

Chemical Property:

• Vapor Pressure: 4.42E-07mmHg at 25°C
• Melting Point: 148-151 °C
• Refractive Index: 1.612
• Boiling Point: 403.3 °C at 760 mmHg
• PKA: 8.12±0.15(Predicted)
• Flash Point: 172.2 °C
• PSA: 37.30000
• Density: 1.178 g/cm³
• LogP: 2.81760
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

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

Benzyl 4-hydroxyphenyl ketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O

Technology Process of Benzyl 4-hydroxyphenyl ketone

There total 29 articles about Benzyl 4-hydroxyphenyl ketone 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: 92.0%

bibenzyl-4,α-diol (73049-07-7) → 1-(4-Hydroxyphenyl)-2-phenylethanone (2491-32-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 16h; Ambient temperature;

DOI:10.1021/jo01297a010

Reference yield: 92.0%

phenyl phenylacetate (722-01-0) → 1-(4-Hydroxyphenyl)-2-phenylethanone (2491-32-9)

Guidance literature:

With aluminium trichloride; at 60 - 70 ℃; for 1h;

DOI:10.1081/SCC-120021843

Reference yield: 90.0%

4-(2-phenylethynyl)phenol (1849-26-9) → 1-(4-Hydroxyphenyl)-2-phenylethanone (2491-32-9)

Guidance literature:

With methanol; platinum(IV) oxide; water; toluene-4-sulfonic acid; at 90 ℃; for 5h; regioselective reaction; Sealed tube;

DOI:10.1039/c8ra00564h

upstream raw materials:

4-methoxyphenyl benzyl ketone

phenyl phenylacetate

2-hydroxy-5-phenylacetyl-benzoic acid

phenylacetyl chloride

Downstream raw materials:

1-(4-hydroxy-phenyl)-2,3-diphenyl-3-piperidino-propan-1-one

1-(4-butoxyphenyl)-2-phenylethanone

1-(4-ethoxyphenyl)-2-phenylethanone

1-(4-isopropoxyphenyl)-2-phenylethanone

Refernces

• 1、 Lin, Hsin-Ping,Ibrahim, Nada,Provot, Olivier,Alami, Mouad,Hamze, Abdallah. "PtO2/PTSA system catalyzed regioselective hydration of internal arylalkynes bearing electron withdrawing groups". . p. 11536 - 11542. Retrieved 2018/04/05.
• 2、 Wang, Zhaofeng,Li, Li,Huang, Yong. "A general synthesis of ynones from aldehydes via oxidative C-C bond cleavage under aerobic conditions". . p. 12233 - 12236. Retrieved 2014/10/15.