2-Propen-1-one, 3-mercapto-1,3-diphenyl-

Base Information

• Chemical Name: 2-Propen-1-one, 3-mercapto-1,3-diphenyl-
• CAS No.: 61520-36-3
• Molecular Formula: C₁₅H₁₂OS
• Molecular Weight: 240.326
• NSC Number: 102540
• Mol file: 61520-36-3.mol

Synonyms:Chalcone, .beta.-mercapto-;2-Propen-1-one, 3-mercapto-1,3-diphenyl-;(Z)-1,3-Diphenyl-3-thioxo-1-propen-1-ol;61520-36-3;NSC102540;BCISFAAIAMNOIC-PTNGSMBKSA-N;NSC-102540;(Z) 1,3-Diphenyl-3-thioxo-1-propen-1-ol;2276-40-6

Chemical Property of 2-Propen-1-one, 3-mercapto-1,3-diphenyl-

Chemical Property:

• Vapor Pressure: 5.02E-06mmHg at 25°C
• Boiling Point: 381.6°Cat760mmHg
• PKA: 7.60±0.50(Predicted)
• Flash Point: 184.6°C
• PSA: 52.32000
• Density: 1.159g/cm³
• LogP: 4.00370
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 240.06088618
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Propen-1-one, 3-mercapto-1,3-diphenyl-

There total 1 articles about 2-Propen-1-one, 3-mercapto-1,3-diphenyl- 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:

monothiodibenzoylmethane (65581-07-9) → β-Hydroxy-α-thiobenzoylstyren (61520-36-3)

Guidance literature:

at 19.9 ℃; Equilibrium constant;

DOI:10.1039/P29800001768

Reference yield:

β-Hydroxy-α-thiobenzoylstyren (61520-36-3) → Dibenzoylmethan-monoxim

Guidance literature:

With potassium hydroxide; hydroxylamine hydrochloride; In methanol;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + β-Hydroxy-α-thiobenzoylstyren (61520-36-3) → 3-(methylthio)-1,3-diphenylprop-2-en-1-one (2183-28-0)

Guidance literature:

In diethyl ether;

upstream raw materials:

monothiodibenzoylmethane

Downstream raw materials:

monothiodibenzoylmethane

3-(methylthio)-1,3-diphenylprop-2-en-1-one

β-Anilinochalcon-anil

1,3-diphenyl-3-(phenylimino)propan-1-one