3-Piperidinecarboxamide, N-((2-chloro-5-(2-methoxyethyl)phenyl)methyl)-N-cyclopropyl-4-(6-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)-3-pyridinyl)-, (3R,4S)-

Base Information

Chemical Name:3-Piperidinecarboxamide, N-((2-chloro-5-(2-methoxyethyl)phenyl)methyl)-N-cyclopropyl-4-(6-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)-3-pyridinyl)-, (3R,4S)-
CAS No.:1007392-69-9
Molecular Formula:C₃₃H₃₈Cl₃N₃O₄
Molecular Weight:647.041
Hs Code.:
UNII:TA1ATU85YC
ChEMBL ID:CHEMBL1269743
Nikkaji Number:J2.918.582D
Pharos Ligand ID:6GCJYSS2KMKM

3-Piperidinecarboxamide, N-((2-chloro-5-(2-methoxyethyl)phenyl)methyl)-N-cyclopropyl-4-(6-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)-3-pyridinyl)-, (3R,4S)-

Synonyms:ACT-178882;MK-1597

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Supply Marketing:

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

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Total 3 raw suppliers

Chemical Property of 3-Piperidinecarboxamide, N-((2-chloro-5-(2-methoxyethyl)phenyl)methyl)-N-cyclopropyl-4-(6-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)-3-pyridinyl)-, (3R,4S)-

Chemical Property:

XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:645.192790
Heavy Atom Count:43
Complexity:857

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)Cl)OCCOC2=NC=C(C=C2)C3CCNCC3C(=O)N(CC4=C(C=CC(=C4)CCOC)Cl)C5CC5)Cl
Isomeric SMILES:CC1=CC(=C(C(=C1)Cl)OCCOC2=NC=C(C=C2)[C@H]3CCNC[C@@H]3C(=O)N(CC4=C(C=CC(=C4)CCOC)Cl)C5CC5)Cl

Technology Process of 3-Piperidinecarboxamide, N-((2-chloro-5-(2-methoxyethyl)phenyl)methyl)-N-cyclopropyl-4-(6-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)-3-pyridinyl)-, (3R,4S)-

There total 22 articles about 3-Piperidinecarboxamide, N-((2-chloro-5-(2-methoxyethyl)phenyl)methyl)-N-cyclopropyl-4-(6-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)-3-pyridinyl)-, (3R,4S)- 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%

: 1206625-73-1
(3'R,4'S)-3'-{[2-chloro-5-(2-methoxy-ethyl)-benzyl]cyclopropylcarbamoyl}-6-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-carboxylic acid tert-butyl ester

: 1007392-69-9
MK-1597

Guidance literature:: (3'R,4'S)-3'-{[2-chloro-5-(2-methoxy-ethyl)-benzyl]cyclopropylcarbamoyl}-6-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-carboxylic acid tert-butyl ester; With phosphoric acid; In 2-methyltetrahydrofuran; tert-butyl methyl ether; at 60 ℃; for 16.1667h;

With water; sodium hydroxide; In 2-methyltetrahydrofuran; tert-butyl methyl ether; at 0 ℃; pH=> 12;

Reference yield: 27.0%

: (3'R,4'S)-6-[2-(2,6-dichloro-4-methyl-phenoxy)-ethoxy]-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxy-ethyl)-benzyl]-cyclopropyl-amide

: C₃₃H₃₈Cl₃N₃O₄

: 1007392-69-9
MK-1597

Guidance literature:: for 0.5h; Purification / work up; Resolution of racemate;

Reference yield:

: 1206625-60-6
2-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine

: 1007392-69-9
MK-1597

Guidance literature:: Multi-step reaction with 6 steps

1.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / 1,2-dimethoxyethane; water / 1.08 h / 50 - 83 °C / Inert atmosphere; Large scale reaction

2.1: tetrafluoroboric acid diethyl ether; [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); Josiphos SL-J₂₁₂-1; hydrogen / tetrahydrofuran; dichloromethane / 20 h / 15 °C / 41372.9 Torr / Autoclave; Large scale reaction

3.1: sodium ethanolate / ethanol / 1 h / 70 °C / Inert atmosphere; Large scale reaction

3.2: 1 h / 70 °C / Inert atmosphere; Large scale reaction

4.1: 1-methyl-1H-imidazole / 2-methyltetrahydrofuran; acetonitrile / 3.25 h / -20 - -5 °C / Inert atmosphere; Large scale reaction

5.1: 2-methyltetrahydrofuran; acetonitrile / 16 h / 20 °C / Inert atmosphere; Large scale reaction

6.1: phosphoric acid / 2-methyltetrahydrofuran; tert-butyl methyl ether; water / 16 h / 60 °C / Inert atmosphere; Large scale reaction

With 1-methyl-1H-imidazole; tetrafluoroboric acid diethyl ether; [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); tetrakis(triphenylphosphine) palladium⁽⁰⁾; Josiphos SL-J₂₁₂-1; phosphoric acid; hydrogen; sodium ethanolate; sodium carbonate; In tetrahydrofuran; 2-methyltetrahydrofuran; 1,2-dimethoxyethane; ethanol; dichloromethane; tert-butyl methyl ether; water; acetonitrile; 1.1: Suzuki coupling;
DOI:10.1021/jo102070e