2-(Hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione

Base Information

• Chemical Name: 2-(Hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione
• CAS No.: 151-88-2
• Molecular Formula: C16H12 O3
• Molecular Weight: 252.269
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID50164686
• Wikidata: Q83033761
• ChEMBL ID: CHEMBL1501419
• Mol file: 151-88-2.mol

Synonyms:2-hydroxymethyl-2-phenyl-1,3-indandione;omefin;omephine

Chemical Property of 2-(Hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione

Chemical Property:

• Vapor Pressure: 1.73E-09mmHg at 25°C
• Boiling Point: 466.1°Cat760mmHg
• Flash Point: 249.8°C
• PSA: 54.37000
• Density: 1.309g/cm³
• LogP: 1.99590
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 358

Purity/Quality:

98%min ^*data from raw suppliers

2-HYDROXYMETHYL-2-PHENYL-INDAN-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CO

Technology Process of 2-(Hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione

There total 3 articles about 2-(Hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione 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%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + phenindione (83-12-5) → 2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione (151-88-2)

Guidance literature:

With potassium carbonate; In ethanol; water; at 20 ℃; for 24h;

DOI:10.1002/jps.22021

Reference yield: 85.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + phenindione (83-12-5) → 2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione (151-88-2)

Guidance literature:

With diphenyldisulfane; In acetonitrile; at 20 ℃; for 24h; Irradiation;

DOI:10.1039/c9cc06544j

Reference yield:

→ 2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione (151-88-2)

Guidance literature:

2-Phenyl-indandion-(1,3), sd. wss. NaOH, Paraformaldehyd, 80 min;

upstream raw materials:

formaldehyd

phenindione

styrene

Downstream raw materials:

2-Oxo-2H-chromene-3-carboxylic acid 3-oxo-2-phenyl-3H-inden-1-yl ester

phenindione

4-Nitro-benzoic acid 3-oxo-2-phenyl-3H-inden-1-yl ester

3-Acetoxy-2-phenyl-inden-1-on

Refernces

• 1、 Zhao, Jingnan,Yang, Fan,Yu, Zongyi,Tang, Xiaofei,Wu, Yufeng,Ma, Cunfei,Meng, Qingwei. "Visible light-mediated selective α-functionalization of 1,3-dicarbonyl compounds: Via disulfide induced aerobic oxidation". supporting information. p. 13008 - 13011. Retrieved 2019/11/05.
• 2、 Afsah,Hamama,Etman,Sayed-Ahmed. "Behaviour of 2-substituted 1,3-indandiones towards aldimines". . p. 46 - 52. Retrieved 2007/10/03.