ML353 Analog

Base Information

Chemical Name:ML353 Analog
CAS No.:1403771-22-1
Molecular Formula:C₁₈H₁₅FN₂O
Molecular Weight:294.328
Hs Code.:
DSSTox Substance ID:DTXSID501170172
Nikkaji Number:J3.251.089B
ChEMBL ID:CHEMBL2431186

Synonyms:ML353 Analog;CHEMBL2431186;SCHEMBL13388631;DTXSID501170172;VU-0403602;N-cyclobutyl-5-((3-fluorophenyl)ethynyl)picolinamide;N-Cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]-2-pyridinecarboxamide;1403771-22-1

Suppliers and Price of ML353 Analog

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of ML353 Analog

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:294.11684127
Heavy Atom Count:22
Complexity:462

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(C1)NC(=O)C2=NC=C(C=C2)C#CC3=CC(=CC=C3)F

Technology Process of ML353 Analog

There total 3 articles about ML353 Analog 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: 63.0%

: 1403771-21-0
5-(3-fluoro-phenylethynyl)-pyridine-2-carboxylic acid

: 6291-01-6
cyclobutanamine hydrochloride

: 1403771-22-1
N-cyclobutyl-5-((3-fluorophenyl)ethynyl)picolinamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield:

: 30766-11-1
5-bromoisonicotinic acid

: 1403771-22-1
N-cyclobutyl-5-((3-fluorophenyl)ethynyl)picolinamide

Guidance literature:: Multi-step reaction with 2 steps

1: copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diethylamine / N,N-dimethyl-formamide / 0.75 h / 90 °C / Microwave irradiation

2: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 2 h / 20 °C

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diethylamine; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; 1: |Sonogashira Cross-Coupling;