N-[1-(2-aminoethylsulfanyl)propan-2-yl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine

Base Information

Chemical Name:N-[1-(2-aminoethylsulfanyl)propan-2-yl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine
CAS No.:98586-86-8
Molecular Formula:C₂₃H₂₆F₃N₃O₂S
Molecular Weight:465.54
Hs Code.:
DSSTox Substance ID:DTXSID10913177
ChEMBL ID:CHEMBL418290
Mol file:98586-86-8.mol

Synonyms:8-((5'-amino-1'-methyl-3'-thiapentyl)amino)-6-methoxy-4-methyl-5-((3-trifluoromethyl)phenoxy)quinoline;8-((5'-amino-1'-methyl-3'-thiapentyl)amino)-6-methoxy-4-methyl-5-((3-trifluoromethyl)phenoxy)quinoline fumarate;8-AMTPQ

Suppliers and Price of N-[1-(2-aminoethylsulfanyl)propan-2-yl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine

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
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price

Total 1 raw suppliers

Chemical Property of N-[1-(2-aminoethylsulfanyl)propan-2-yl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine

Chemical Property:

Vapor Pressure:7.86E-14mmHg at 25°C
Boiling Point:588.6°Cat760mmHg
Flash Point:309.7°C
PSA：147.48000
Density:1.276g/cm³
LogP:6.51360
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:465.16978274
Heavy Atom Count:32
Complexity:571

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CSCCN)OC)OC3=CC=CC(=C3)C(F)(F)F

Technology Process of N-[1-(2-aminoethylsulfanyl)propan-2-yl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine

There total 3 articles about N-[1-(2-aminoethylsulfanyl)propan-2-yl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine 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:

: 98586-92-6
6-methoxy-4-methyl-8-<(1'-methyl-5'-phthalimido-3'-thiapentyl)amino>-5-quinoline

: 98586-86-8
8-[(5'-amino-1'-methyl-3'-thiapentyl)amino]-6-methoxy-4-methyl-5-[m-(trifluoromethyl)phenoxy]quinoline

Guidance literature:: With hydrazine; In ethanol; for 2h; Heating;
DOI:10.1021/jm00150a035

Reference yield:

: 98586-89-1
5-hydroxy-1-phthalimido-3-thiahexane

: 98586-86-8
8-[(5'-amino-1'-methyl-3'-thiapentyl)amino]-6-methoxy-4-methyl-5-[m-(trifluoromethyl)phenoxy]quinoline

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) (p-bromophenyl)sulfonyl chloride, pyridine, 2.) Et₃N / 1.) 25 deg C, 3 h, 2.) 90-100 deg C, 25 h

2: 2.86 g / hydrazine / ethanol / 2 h / Heating

With pyridine; triethylamine; 4-bromobenzenesulfonyl chloride; hydrazine; In ethanol;
DOI:10.1021/jm00150a035

Reference yield:

: 98586-88-0
5-oxo-1-phthalimido-3-thiahexane

: 98586-86-8
8-[(5'-amino-1'-methyl-3'-thiapentyl)amino]-6-methoxy-4-methyl-5-[m-(trifluoromethyl)phenoxy]quinoline

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / NaBH₄ / tetrahydrofuran / 1.) a) 0 deg C, 2 h, b) 25 deg C, 2 h, 2.) 50 deg C, 2 h

2: 1.) (p-bromophenyl)sulfonyl chloride, pyridine, 2.) Et₃N / 1.) 25 deg C, 3 h, 2.) 90-100 deg C, 25 h

3: 2.86 g / hydrazine / ethanol / 2 h / Heating

With pyridine; sodium tetrahydroborate; triethylamine; 4-bromobenzenesulfonyl chloride; hydrazine; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00150a035