2-(Phenylsulfonyl)acetophenone

Base Information

• Chemical Name: 2-(Phenylsulfonyl)acetophenone
• CAS No.: 3406-03-9
• Molecular Formula: C14H12 O3 S
• Molecular Weight: 260.313
• Hs Code.: 29309090
• European Community (EC) Number: 222-292-0
• NSC Number: 633013,63073,2698
• UNII: F6UD8QA2EG
• DSSTox Substance ID: DTXSID20187660
• Nikkaji Number: J113.743C
• Wikidata: Q83059367
• ChEMBL ID: CHEMBL379738
• Mol file: 3406-03-9.mol

Synonyms:2-(Phenylsulfonyl)acetophenone;3406-03-9;1-Phenyl-2-(phenylsulfonyl)ethanone;2-Phenylsulfonylacetophenone;2-(benzenesulfonyl)-1-phenylethanone;Acetophenone, 2-(phenylsulfonyl)-;Phenacyl phenyl sulfone;Ethanone, 1-phenyl-2-(phenylsulfonyl)-;1-Phenyl-2-(phenylsulphonyl)ethan-1-one;1-phenyl-2-(phenylsulfonyl)ethan-1-one;NSC-2698;NSC-63073;NSC633013;benzoylmethyl phenyl sulfone;NSC2698;phenacylphenyl sulfone;Phenyl phenacyl sulfone;2-(benzenesulfonyl)-1-phenylethan-1-one;phenylsulfonylacetophenone;Phenylacyl phenyl sulfone;F6UD8QA2EG;2-Benzenesulfonylacetophenone;NCIOpen2_002746;benzoyl phenylsulfonyl methane;Benzoyl(phenylsulfonyl)methane;SCHEMBL452973;2-(Phenylsulphonyl)acetophenone;CHEMBL379738;DTXSID20187660;alpha-(Phenylsulfonyl)acetophenone;Acetophenone, 2-(phenylsulphonyl)-;NSC 2698;NSC63073;.alpha.-(Phenylsulfonyl)acetophenone;.omega.-(Phenylsulfonyl)acetophenone;2-Benzenesulfonyl-1-phenyl-ethanone;EINECS 222-292-0;alpha-PHENYLSULFONYLACETOPHENONE;MFCD00025043;NSC 63073;STK264117;1-Phenyl-2-(phenylsulphonyl)ethanone;2-(benzenesulfonyl)-1-phenyl-ethanone;AKOS002337153;1-Phenyl-2-(phenylsulfonyl)ethanone #;NSC-633013;Ethanone, 1-phenyl-2-(phenylsulphonyl)-;CS-0204279;FT-0634840;P0828;D92020;EN300-213890;A851238;J-640241;J-800240;Z57600638;F0001-0997

Chemical Property of 2-(Phenylsulfonyl)acetophenone

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Vapor Pressure: 4.43E-09mmHg at 25°C
• Melting Point: 93-95 °C(lit.)
• Refractive Index: 1.5050 (estimate)
• Boiling Point: 472°Cat760mmHg
• Flash Point: 305°C
• PSA: 59.59000
• Density: 1.256g/cm³
• LogP: 3.42400
• Solubility.: soluble in Benzene
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 260.05071541
• Heavy Atom Count: 18
• Complexity: 368

Purity/Quality:

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

2-Phenylsulfonylacetophenone >98.0%(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: C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2

Technology Process of 2-(Phenylsulfonyl)acetophenone

There total 110 articles about 2-(Phenylsulfonyl)acetophenone 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: 95.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + sodium benzenesulfonate (873-55-2) → 2-(phenylsulfonyl)acetophenone (3406-03-9)

Guidance literature:

With oxygen; copper dichloride; In acetic acid; at 60 ℃; for 6h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1016/j.tetlet.2020.152794

Reference yield: 94.0%

sodium benzenesulfonate (873-55-2) + phenylacetylene (536-74-3) → 2-(phenylsulfonyl)acetophenone (3406-03-9)

Guidance literature:

With iron(III) chloride; dipotassium peroxodisulfate; oxygen; In water; at 20 ℃; for 7h; Green chemistry;

DOI:10.1016/j.tetlet.2014.03.078

Reference yield: 92.0%

3-oxo-3-phenylpropionic acid (614-20-0) + sodium benzenesulfonate (873-55-2) → 2-(phenylsulfonyl)acetophenone (3406-03-9)

Guidance literature:

With sodium phosphate dodecahydrate; N-Bromosuccinimide; In water; at 20 ℃; for 24h;

upstream raw materials:

methylphenylsulfonate

benzoic acid ethyl ester

β-phenyl-β-hydroxyethyl phenyl sulfone

2-chloro-1-phenyl-2-(phenylsulfonyl)ethanone

Downstream raw materials:

α-phenylsulfonyl (3,4-dioxymethylene chalcone)

β-phenyl-β-hydroxyethyl phenyl sulfone

benzenesulfonyl-acetic acid anilide

α-benzenesulfonyl-4-methyl-cis-chalcone

Refernces

• 1、 Charpe, Vaibhav Pramod,Das, Deb Kumar,Hwang, Kuo Chu,Hwu, Jih Ru,Lin, Chun-Cheng,Pampana, V. K. K.,Sagadevan, Arunachalam. "Oxy-sulfonylation of terminal alkynesviaC-S coupling enabled by copper photoredox catalysis". supporting information. p. 3569 - 3574. Retrieved 2021/06/06.
• 2、 Wang, Shitong,Wang, Chengyi,Lv, Ning,Tan, Chunxia,Cheng, Tanyu,Liu, Guohua. "A Compartmentalized-type Bifunctional Magnetic Catalyst for One-pot Aerobic Oxysulfonylation and Asymmetric Transfer Hydrogenation". . p. 909 - 915. Retrieved 2020/11/30.