Agn-PC-00gmiu

Base Information

• Chemical Name: Agn-PC-00gmiu
• CAS No.: 205527-20-4
• Molecular Formula: C₁₆H₁₆Cl₂O₂S
• Molecular Weight: 343.274
• DSSTox Substance ID: DTXSID50473301
• Mol file: 205527-20-4.mol

Synonyms:AGN-PC-00GMIU;205527-20-4;DTXSID50473301

Chemical Property of Agn-PC-00gmiu

Chemical Property:

• PSA: 65.76000
• LogP: 4.49360
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 342.0248063
• Heavy Atom Count: 21
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CSCC(C2=CC=C(C=C2)Cl)O)O)Cl

Technology Process of Agn-PC-00gmiu

There total 5 articles about Agn-PC-00gmiu 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: 48.0%

C16H14Cl4S (205527-11-3) → 2,6-Bis-(4-chloro-phenyl)-[1,4]oxathiane + 1-(4-Chloro-phenyl)-2-[2-(4-chloro-phenyl)-2-hydroxy-ethylsulfanyl]-ethanol (205527-20-4)

Guidance literature:

With silica gel; In chloroform; at 30 ℃; for 6h; pH=6.7;

DOI:10.3987/com-97-s(n)50

Reference yield:

1,5-bis(4-chlorophenyl)-3-thiapentane-1,5-dione (23080-23-1) → 1-(4-Chloro-phenyl)-2-[2-(4-chloro-phenyl)-2-hydroxy-ethylsulfanyl]-ethanol (205527-20-4)

Guidance literature:

With methanol; sodium tetrahydroborate;

DOI:10.1016/j.tet.2012.06.029

Reference yield:

4-vinylbenzyl chloride (1073-67-2,24991-47-7) → 1-(4-Chloro-phenyl)-2-[2-(4-chloro-phenyl)-2-hydroxy-ethylsulfanyl]-ethanol (205527-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / sulfur dichloride / CH₂Cl₂ / 2 h / 0 °C

2: 48 percent / silica gel / CHCl₃ / 6 h / 30 °C / pH=6.7

With sulfur dichloride; silica gel; In dichloromethane; chloroform;

DOI:10.3987/com-97-s(n)50

upstream raw materials:

C₁₆H₁₄Cl₄S

4-vinylbenzyl chloride

1,5-bis(4-chlorophenyl)-3-thiapentane-1,5-dione

para-chloroacetophenone