Tiflorex

Base Information

Chemical Name:Tiflorex
CAS No.:53993-67-2
Deprecated CAS:51748-23-3
Molecular Formula:C₁₂H₁₆F₃NS
Molecular Weight:263.327
Hs Code.:
UNII:EG3B69DFQ5
DSSTox Substance ID:DTXSID90866374
Nikkaji Number:J12.667E
Wikipedia:Tiflorex
Wikidata:Q1720750
NCI Thesaurus Code:C75117
ChEMBL ID:CHEMBL2105447
Mol file:53993-67-2.mol

Synonyms:flutiorex;flutiorex hydrochloride, (+-)-isomer;flutiorex, (+)-isomer;flutiorex, (-)-isomer;SL 72340;tiflorex

Suppliers and Price of Tiflorex

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 Tiflorex

Chemical Property:

Vapor Pressure:0.0236mmHg at 25°C
Boiling Point:248.9°Cat760mmHg
Flash Point:104.3°C
PSA：37.33000
Density:1.16g/cm³
LogP:4.22990
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:263.09555517
Heavy Atom Count:17
Complexity:220

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCNC(C)CC1=CC(=CC=C1)SC(F)(F)F

Technology Process of Tiflorex

There total 7 articles about Tiflorex 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%

: 51748-25-5
1-(3-((trifluoromethyl)thio)phenyl)propan-2-one

: 75-04-7,85404-22-4
ethylamine

: 53993-67-2
N-ethyl-1-(3-((trifluoromethyl)thio)phenyl)propan-2-amine

Guidance literature:: With sodium tris(acetoxy)borohydride; acetic acid; In tetrahydrofuran; dichloromethane; at 80 ℃; for 0.333333h; Inert atmosphere; Sealed tube;
DOI:10.1002/anie.201813708

Reference yield:

: 2-(3-bromobenzyl)-2-methyl-1,3-dioxolane

: 53993-67-2
N-ethyl-1-(3-((trifluoromethyl)thio)phenyl)propan-2-amine

Guidance literature:: Multi-step reaction with 4 steps

1: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / dimethyl sulfoxide / 12 h / 80 °C / Inert atmosphere; Schlenk technique

2: [(1,2-bis(diphenylphosphino)ethane)CuCl]; sodium t-butanolate / toluene / 12 h / 50 °C / Inert atmosphere; Schlenk technique

3: toluene-4-sulfonic acid; water / acetone / 24 h / 60 °C / Inert atmosphere; Schlenk technique

4: sodium tris(acetoxy)borohydride; acetic acid / tetrahydrofuran; dichloromethane / 0.33 h / 80 °C / Inert atmosphere; Sealed tube

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; [(1,2-bis(diphenylphosphino)ethane)CuCl]; water; potassium acetate; sodium tris(acetoxy)borohydride; toluene-4-sulfonic acid; acetic acid; sodium t-butanolate; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide; acetone; toluene;
DOI:10.1002/anie.201813708

Reference yield:

: 2-methyl-2-(3-((trifluoromethyl)thio)benzyl)-1,3-dioxolane

: 53993-67-2
N-ethyl-1-(3-((trifluoromethyl)thio)phenyl)propan-2-amine

Guidance literature:: Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid; water / acetone / 24 h / 60 °C / Inert atmosphere; Schlenk technique

2: sodium tris(acetoxy)borohydride; acetic acid / tetrahydrofuran; dichloromethane / 0.33 h / 80 °C / Inert atmosphere; Sealed tube

With water; sodium tris(acetoxy)borohydride; toluene-4-sulfonic acid; acetic acid; In tetrahydrofuran; dichloromethane; acetone;
DOI:10.1002/anie.201813708