2-(4-Aminophenyl)-3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)thieno[2,3-b]pyridin-4-one

Base Information

Chemical Name:2-(4-Aminophenyl)-3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)thieno[2,3-b]pyridin-4-one
CAS No.:174072-26-5
Molecular Formula:C33H31 F2 N3 O2 S
Molecular Weight:571.691
Hs Code.:
DSSTox Substance ID:DTXSID40468261
Wikidata:Q82295412
Mol file:174072-26-5.mol

Synonyms:174072-26-5;2-(4-aminophenyl)-3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)thieno[2,3-b]pyridin-4-one;MFCD10574818;2-(4-Amino-phenyl)-3-[(benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-benzyl)-5-isobutyryl-7H-thieno[2;2-(4-Amino-phenyl)-3-[(benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-benzyl)-5-isobutyryl-7H-thieno[2,3-b]pyridin-4-one;2-(4-aminophenyl)-3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-5-isobutyryl-4-oxothieno[2,3-b]pyridine;Thieno[2,3-b]pyridin-4(7H)-one, 2-(4-aminophenyl)-7-[(2,6-difluorophenyl)methyl]-5-(2-methyl-1-oxopropyl)-3-[[methyl(phenylmethyl)amino]methyl]-;TTYJJHMUWWWXSO-UHFFFAOYSA-N;SCHEMBL6544690;DTXSID40468261;AKOS017343490;2-(4-Aminophenyl)-3-{[benzyl(methyl)amino]methyl}-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)-4H,7H-thieno[2,3-b]pyridin-4-one;2-(4-aminophenyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-5-isobutyryl-3-(N-benzyl-N-methylaminomethyl)-4-oxothieno[2,3-b]pyridine

Suppliers and Price of 2-(4-Aminophenyl)-3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)thieno[2,3-b]pyridin-4-one

Supply Marketing:

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

Manufacturers and distributors:

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Total 2 raw suppliers

Chemical Property of 2-(4-Aminophenyl)-3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)thieno[2,3-b]pyridin-4-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.641
Boiling Point:724.649°C at 760 mmHg
Flash Point:392.054°C
PSA：96.57000
Density:1.297g/cm³
LogP:7.69060
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:571.21050474
Heavy Atom Count:41
Complexity:939

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)N)CN(C)CC4=CC=CC=C4)CC5=C(C=CC=C5F)F

Technology Process of 2-(4-Aminophenyl)-3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)thieno[2,3-b]pyridin-4-one

There total 14 articles about 2-(4-Aminophenyl)-3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-5-(2-methylpropanoyl)thieno[2,3-b]pyridin-4-one 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: 79.0%

: 903520-54-7
3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-5-isobutyryl-2-(4-trifluoroacetamidophenyl)-4-oxothieno[2,3-b]pyridine

: 174072-26-5
2-(4-aminophenyl)-3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-5-isobutyryl-4-oxothieno[2,3-b]pyridine

Guidance literature:: With sodium hydroxide; In methanol; at 60 ℃; for 1h;
DOI:10.1021/jm0512894

Reference yield:

: 697-73-4
2,6-difluorobenzyl chloride

: 174072-26-5
2-(4-aminophenyl)-3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-5-isobutyryl-4-oxothieno[2,3-b]pyridine

Guidance literature:: Multi-step reaction with 9 steps

1.1: 90 percent / K₂CO₃; KI / dimethylformamide / 20 - 50 °C

2.1: 71 percent / NaNO₃; H₂SO₄ / 0 °C

3.1: N-bromosuccinimide; 2,2'-azobis(isobutyronitrile) / CCl₄ / Heating

4.1: N,N-diisopropylethylamine / dimethylformamide / 20 °C

5.1: 96 percent / aq. HCl; Fe / ethanol / 0 °C

6.1: 98 percent / Et₃N / CH₂Cl₂ / 1 h / 20 °C

7.1: Me₃Al; N,N-diisopropylethylamine / CH₂Cl₂; hexane / 0 °C

7.2: 94 percent / CH₂Cl₂; hexane / 0 °C

8.1: 75 percent / dioxane / 0 °C

9.1: 79 percent / aq. NaOH / methanol / 1 h / 60 °C

With hydrogenchloride; sodium hydroxide; sodium nitrate; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); sulfuric acid; trimethylaluminum; iron; potassium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; potassium iodide; In 1,4-dioxane; methanol; tetrachloromethane; ethanol; hexane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm0512894

Reference yield:

: 174072-77-6
ethyl N-[3-carboxy-4-methyl-5-phenyl-2-thienyl]aminomethylenemalonate

: 174072-26-5
2-(4-aminophenyl)-3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-5-isobutyryl-4-oxothieno[2,3-b]pyridine

Guidance literature:: Multi-step reaction with 10 steps

1.1: 60 percent / polyphosphate ester / 120 °C

2.1: 90 percent / K₂CO₃; KI / dimethylformamide / 20 - 50 °C

3.1: 71 percent / NaNO₃; H₂SO₄ / 0 °C

4.1: N-bromosuccinimide; 2,2'-azobis(isobutyronitrile) / CCl₄ / Heating

5.1: N,N-diisopropylethylamine / dimethylformamide / 20 °C

6.1: 96 percent / aq. HCl; Fe / ethanol / 0 °C

7.1: 98 percent / Et₃N / CH₂Cl₂ / 1 h / 20 °C

8.1: Me₃Al; N,N-diisopropylethylamine / CH₂Cl₂; hexane / 0 °C

8.2: 94 percent / CH₂Cl₂; hexane / 0 °C

9.1: 75 percent / dioxane / 0 °C

10.1: 79 percent / aq. NaOH / methanol / 1 h / 60 °C

With hydrogenchloride; sodium hydroxide; sodium nitrate; N-Bromosuccinimide; polyphosphate ester; 2,2'-azobis(isobutyronitrile); sulfuric acid; trimethylaluminum; iron; potassium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; potassium iodide; In 1,4-dioxane; methanol; tetrachloromethane; ethanol; hexane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm0512894