Talviraline

Base Information

Chemical Name:Talviraline
CAS No.:163451-80-7
Deprecated CAS:169312-27-0
Molecular Formula:C₁₅H₂₀N₂O₃S₂
Molecular Weight:340.467
Hs Code.:
UNII:XZ4KT6MO4X
DSSTox Substance ID:DTXSID10168701
Wikidata:Q27097093
NCI Thesaurus Code:C90787
Metabolomics Workbench ID:151040
ChEMBL ID:CHEMBL430488
Mol file:163451-80-7.mol

Synonyms:HBY 097;HBY-097

Suppliers and Price of Talviraline

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Talviraline

Chemical Property:

Boiling Point:471.1°Cat760mmHg
PKA:9.99±0.40(Predicted)
Flash Point:238.7°C
PSA：108.19000
Density:1.3g/cm³
LogP:3.73410
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:340.09153485
Heavy Atom Count:22
Complexity:420

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)OC(=O)N1C(C(=S)NC2=C1C=C(C=C2)OC)CSC
Isomeric SMILES:CC(C)OC(=O)N1[C@H](C(=S)NC2=C1C=C(C=C2)OC)CSC
Recent ClinicalTrials:The Safety and Effectiveness of HBY 097 Used With or Without AZT in HIV-Infected Patients Who Have Mild or No Symptoms

Technology Process of Talviraline

There total 4 articles about Talviraline 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:

: 178040-87-4
7-methoxy-2-methylsulfanylmethyl-3-oxo-3,4-dihydro-2H-quinoxaline-1-carboxylic acid isopropyl ester

: 163451-80-7,169312-27-0
HBY-097

Guidance literature:: With phosphorous (V) sulfide; In toluene;
DOI:10.1128/AAC.39.10.2253

Reference yield:

: 28987-59-9
3-chloro-4-nitroanisole

: 163451-80-7,169312-27-0
HBY-097

Guidance literature:: Multi-step reaction with 4 steps

1: 2N aq. NaOH / 2-methoxy-ethanol / Heating

2: Raney Ni; AcOH / methanol

3: pyridine / CH₂Cl₂

4: phosphorous pentasulfide / toluene

With pyridine; sodium hydroxide; phosphorous (V) sulfide; nickel; acetic acid; In methanol; dichloromethane; 2-methoxy-ethanol; toluene; 1: Substitution / 2: reduction; cyclization / 3: Substitution / 4: thiathion;
DOI:10.1128/AAC.39.10.2253

Reference yield:

: 178041-55-9
6-methoxy-3-methylsulfanylmethyl-3,4-dihydro-1H-quinoxalin-2-one

: 163451-80-7,169312-27-0
HBY-097

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / CH₂Cl₂

2: phosphorous pentasulfide / toluene

With pyridine; phosphorous (V) sulfide; In dichloromethane; toluene; 1: Substitution / 2: thiathion;
DOI:10.1128/AAC.39.10.2253