Cyclopropyl(4-hydroxyphenyl)methanone

Base Information

• Chemical Name: Cyclopropyl(4-hydroxyphenyl)methanone
• CAS No.: 36116-18-4
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2914501900
• European Community (EC) Number: 805-454-0
• DSSTox Substance ID: DTXSID80359982
• Nikkaji Number: J2.030.219D
• Wikidata: Q82141455
• Mol file: 36116-18-4.mol

Synonyms:cyclopropyl(4-hydroxyphenyl)methanone;36116-18-4;CYCLOPROPY(4-HYDROXYPHENYL)METHANONE;4-cyclopropanecarbonylphenol;cyclopropyl-(4-hydroxyphenyl)methanone;4-hydroxyphenylcyclopropylketone;SCHEMBL1334195;DTXSID80359982;GVBHKNVCIKUPCZ-UHFFFAOYSA-N;AMY29115;MFCD06200217;AKOS006294460;Methanone,cyclopropyl(4-hydroxyphenyl)-;AS-33241;CS-0103541;FT-0739568;EN300-130156;A856672;4-(Cyclopropylcarbonyl)phenol;Cyclopropyl p-hydroxyphenyl ketone

Chemical Property of Cyclopropyl(4-hydroxyphenyl)methanone

Chemical Property:

• Melting Point: 105-107 °C
• Boiling Point: 335.5±15.0 °C(Predicted)
• PKA: 8.09±0.15(Predicted)
• PSA: 37.30000
• Density: 1.260±0.06 g/cm3(Predicted)
• LogP: 1.98490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

cyclopropyl(4-hydroxyphenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C2=CC=C(C=C2)O

Technology Process of Cyclopropyl(4-hydroxyphenyl)methanone

There total 12 articles about Cyclopropyl(4-hydroxyphenyl)methanone 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: 95.8%

γ-chloro-4-hydroxybutyrophenone (7150-55-2) → cyclopropyl 4-hydroxyphenyl ketone (36116-18-4)

Guidance literature:

γ-chloro-4-hydroxybutyrophenone; With potassium tert-butylate; In tetrahydrofuran; at -5 - 0 ℃; for 0.5h;

With phosphoric acid; In tetrahydrofuran; water; at -5 - 20 ℃; for 2h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1021/op0002996

Reference yield: 88.0%

Cyclopropylacetylene (6746-94-7) + p-benzoquinone (106-51-4) → cyclopropyl 4-hydroxyphenyl ketone (36116-18-4)

Guidance literature:

With dipotassium peroxodisulfate; trifluoroacetic acid; In water; acetonitrile; at 25 ℃; for 6h; Irradiation;

DOI:10.1021/acs.joc.9b00855

Reference yield: 62.5%

γ-chloro-4-hydroxybutyrophenone (7150-55-2) → cyclopropyl 4-hydroxyphenyl ketone (36116-18-4) + 4-hydroxy-1-(4-hydroxyphenyl)-butan-1-one (113425-33-5)

Guidance literature:

With sodium hydroxide; In water; at 20 - 25 ℃; for 0.025h; Reagent/catalyst; Temperature;

DOI:10.1021/op0002996

upstream raw materials:

γ-chloro-4-hydroxybutyrophenone

4-(4-fluorophenyl)-4-oxo-n-butyl chloride

p-methoxyphenyl cyclopropyl ketone

4-bromobenzenemethanol

Downstream raw materials:

C₁₁H₉F₃O₄S

4-cyclopropylmethylphenol

Refernces

• 1、 Szczepańska, Katarzyna,Pockes, Steffen,Podlewska, Sabina,H?ring, Carina,Mika, Kamil,Latacz, Gniewomir,Bednarski, Marek,Siwek, Agata,Karcz, Tadeusz,Nagl, Martin,Bresinsky, Merlin,M?nnich, Denise,Seibel, Ulla,Kuder, Kamil J.,Kotańska, Magdalena,Stark, Holger,Elz, Sigurd,Kie?-Kononowicz, Katarzyna. "Structural modifications in the distal, regulatory region of histamine H3 receptor antagonists leading to the identification of a potent anti-obesity agent". supporting information. . Retrieved 2020/12/07.
• 2、 -. "HCV POLYMERASE INHIBITORS". Page/Page column 69. . Retrieved 2020/02/14.