Irdabisant hydrochloride

Base Information

Chemical Name:Irdabisant hydrochloride
CAS No.:1005398-61-7
Molecular Formula:C₁₈H₂₃N₃O₂*ClH
Molecular Weight:349.86
Hs Code.:
UNII:M2U80Z023U
Wikidata:Q27283405
NCI Thesaurus Code:C174686
ChEMBL ID:CHEMBL1813067

Synonyms:IRDABISANT HYDROCHLORIDE;Irdabisant hydrochloride [USAN];CEP-26401 HYDROCHLORIDE;UNII-M2U80Z023U;M2U80Z023U;Irdabisant (hydrochloride);1005398-61-7;CHEMBL1813067;3(2H)-Pyridazinone, 6-(4-(3-((2R)-2-methyl-1-pyrrolidinyl)propoxy)phenyl)-, hydrochloride (1:1);Irdabisant hydrochloride (USAN);6-(4-(3-((2R)-2-Methylpyrrolidin-1-yl)propoxy)phenyl)pyridazin-3(2H)-one monohydrochloride;SCHEMBL16040206;HY-109968A;IRDABISANT HYDROCHLORIDE [WHO-DD];CS-0086369;D10129;Q27283405;6-(4-(3-((2R)-2-METHYLPYRROLIDIN-1-YL)PROPOXY)PHENYL)PYRIDAZIN-3(2H)-ONE HYDROCHLORIDE

Suppliers and Price of Irdabisant hydrochloride

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 Irdabisant hydrochloride

Chemical Property:

Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:349.1557047
Heavy Atom Count:24
Complexity:467

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CCCN1CCCOC2=CC=C(C=C2)C3=NNC(=O)C=C3.Cl
Isomeric SMILES:C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C3=NNC(=O)C=C3.Cl

Technology Process of Irdabisant hydrochloride

There total 8 articles about Irdabisant hydrochloride 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:

: Irdabisant

: 1005398-61-7
Irdabisant hydrochloride

Guidance literature:: With hydrogenchloride; In methanol; ethanol; water;
DOI:10.1021/jm200401v

Reference yield:

: 1005402-22-1
6-[4-(3-chloropropoxy)phenyl]-2H-pyridazin-3-one

: 1005398-61-7
Irdabisant hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate; sodium iodide / acetonitrile / 72 h / 80 °C

2: hydrogenchloride / methanol; ethanol; water

With hydrogenchloride; potassium carbonate; sodium iodide; In methanol; ethanol; water; acetonitrile;
DOI:10.1021/jm200401v

Reference yield:

: 889865-32-1
2-[4-(3-chloropropoxy)phenyl]-4,4,5,5,-tetramethyl[1,3,2]dioxaborolane

: 1005398-61-7
Irdabisant hydrochloride

Guidance literature:: Multi-step reaction with 4 steps

1: potassium carbonate; sodium iodide / acetonitrile / 60 h / Reflux

2: palladium diacetate; sodium hydrogencarbonate; triphenylphosphine / tetrahydrofuran; ethanol; water / 15 h / 80 °C / Inert atmosphere

3: sodium acetate / acetic acid / 2 h / 115 °C

4: hydrogenchloride / methanol; ethanol; water

With hydrogenchloride; sodium acetate; palladium diacetate; sodium hydrogencarbonate; potassium carbonate; triphenylphosphine; sodium iodide; In tetrahydrofuran; methanol; ethanol; water; acetic acid; acetonitrile; 2: Suzuki coupling;
DOI:10.1021/jm200401v