Ethanamine, N,N-dimethyl-2-((R)-(1-methyl-1H-pyrazol-5-yl)phenylmethoxy)-

Base Information

• Chemical Name: Ethanamine, N,N-dimethyl-2-((R)-(1-methyl-1H-pyrazol-5-yl)phenylmethoxy)-
• CAS No.: 148981-62-8
• Molecular Formula: C15H21N3O
• Molecular Weight: 259.351
• UNII: WL3JTG8V2H
• Nikkaji Number: J1.146.826H
• Wikidata: Q27292702
• ChEMBL ID: CHEMBL92357

Synonyms:R-Cizolirtine;Cizolirtine, (+)-;(R)-(+)-Cizolirtine;UNII-WL3JTG8V2H;WL3JTG8V2H;(R)-Cizolirtine;Ethanamine, N,N-dimethyl-2-((R)-(1-methyl-1H-pyrazol-5-yl)phenylmethoxy)-;148981-62-8;CIZOLIRTINE, (R)-;CHEMBL92357;n,n-dimethyl-2-[(1-methyl-1h-pyrazol-5-yl)phenylmethoxy]ethanamine;SCHEMBL2776433;1-methyl-alpha-phenyl-O-(2-dimethylaminoethyl)-1H-pyrazole-5-methanol;Q27292702

Chemical Property of Ethanamine, N,N-dimethyl-2-((R)-(1-methyl-1H-pyrazol-5-yl)phenylmethoxy)-

Chemical Property:

• PSA: 30.29000
• LogP: 2.08770
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 259.168462302
• Heavy Atom Count: 19
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC=N1)C(C2=CC=CC=C2)OCCN(C)C
• Isomeric SMILES: CN1C(=CC=N1)[C@@H](C2=CC=CC=C2)OCCN(C)C

Technology Process of Ethanamine, N,N-dimethyl-2-((R)-(1-methyl-1H-pyrazol-5-yl)phenylmethoxy)-

There total 3 articles about Ethanamine, N,N-dimethyl-2-((R)-(1-methyl-1H-pyrazol-5-yl)phenylmethoxy)- 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: 92.0%

2-(N,N-dimethylamino)ethanol hydrochloride (2498-25-1) + (R)-(+)-1-Methyl-α-phenyl-1H-pyrazole-5-methanol (148408-72-4) → (R)-(+)-Cizolirtine (148981-62-8,142155-43-9)

Guidance literature:

With sodium hydroxide; water; tribenzylamine hydrochloride; In toluene; for 10h; Heating;

DOI:10.1055/s-1999-2712

Reference yield:

(R)-3,3-diphenyl-1-methylpyrrolidine[1,2-c]-1,3,2-oxazaborole + (2-chloroethyl)dimethylamine hydrochloride (4584-46-7) + dimethyl sulfide borane (13292-87-0) + (1-methyl-1H-pyrazol-5-yl)(phenyl)methanone (61496-24-0) → (R)-(+)-Cizolirtine (148981-62-8,142155-43-9)

Guidance literature:

With sodium hydroxide; citric acid; sodium chloride; In methanol; toluene;

Reference yield:

→ (R)-(+)-Cizolirtine (148981-62-8,142155-43-9)

Guidance literature:

upstream raw materials:

2-(N,N-dimethylamino)ethanol hydrochloride

(R)-(+)-1-Methyl-α-phenyl-1H-pyrazole-5-methanol

(2-chloroethyl)dimethylamine hydrochloride

dimethyl sulfide borane

Downstream raw materials:

1-chloroethyl 2-(((R)-1-methyl-1H-pyrazol-5-yl)(phenyl)methoxy)ethylmethylcarbamate

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