Yze9gcm2BB

Base Information

• Chemical Name: Yze9gcm2BB
• CAS No.: 178308-65-1
• Molecular Formula: C22H22ClN5O2
• Molecular Weight: 423.902
• UNII: YZE9GCM2BB
• Nikkaji Number: J1.166.016I
• Pharos Ligand ID: KLJ34HTHUQRU
• ChEMBL ID: CHEMBL266960

Synonyms:E-4010 free base;YZE9GCM2BB;UNII-YZE9GCM2BB;CHEMBL266960;178308-65-1;4-(((3-Chloro-4-methoxyphenyl)methyl)amino)-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile;4-(((3-Chloro-4-methoxyphenyl)methyl)amino)-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile;6-Phthalazinecarbonitrile, 4-(((3-chloro-4-methoxyphenyl)methyl)amino)-1-(4-hydroxy-1-piperidinyl)-;CHEMBL545712;SCHEMBL1962546;VDXZLVXFVYDBNH-UHFFFAOYSA-N;BDBM50089814;PD163118;1-(4-hydroxypiperidino)-4-(3-chloro-4-methoxybenzyl)amino-6-cyanophthalazine;1-(4-Hydroxypiperidino)-4-[(3-chloro-4-methoxybenzyl)amino]phthalazine-6-carbonitrile;4-(3-chloro-4-methoxybenzyl)amino-6-cyano-1-(4-hydroxypiperidino)phthalazine;4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-piperidin-1-yl)-phthalazine-6-carbonitrile;hydrochloride

Chemical Property of Yze9gcm2BB

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 423.1462027
• Heavy Atom Count: 30
• Complexity: 608

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)Cl

Technology Process of Yze9gcm2BB

There total 2 articles about Yze9gcm2BB 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:

4-HYDROXYPIPERIDINE (5382-16-1) + 1-Chloro-4-(3-chloro-4-methoxybenzyl)amino-6-cyanophthalazine (178308-63-9) → 1-(4-hydroxypiperidino)-4-(3-chloro-4-methoxybenzyl)amino-6-cyanophthalazine (178308-65-1)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; N-ethyl-N,N-diisopropylamine; at 170 ℃; for 4.5h;

DOI:10.1021/jm9905054

Reference yield:

pyridin-4-ol (626-64-2,157061-69-3) + 1-Chloro-4-(3-chloro-4-methoxybenzyl)amino-6-cyanophthalazine (178308-63-9) → 1-(4-hydroxypiperidino)-4-(3-chloro-4-methoxybenzyl)amino-6-cyanophthalazine (178308-65-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In methanol; 1-methylpiperidin-2-one; ethyl acetate;

Reference yield: 82.0%

1-(4-hydroxypiperidino)-4-(3-chloro-4-methoxybenzyl)amino-6-cyanophthalazine (178308-65-1) → 4-[(3-chloro-4-methoxybenzyl)amino]-1-(4-hydroxypiperidino)-6-phthalazinecarboxylic acid (288091-85-0)

Guidance literature:

With sodium hydroxide; In methanol; for 6h; Heating;

DOI:10.1021/jm9905054

upstream raw materials:

4-HYDROXYPIPERIDINE

1-Chloro-4-(3-chloro-4-methoxybenzyl)amino-6-cyanophthalazine

pyridin-4-ol

Downstream raw materials:

4-[(3-chloro-4-methoxybenzyl)amino]-1-(4-hydroxypiperidino)-6-phthalazinecarboxylic acid

4-(3-chloro-4-methoxybenzyl)amino-6-cyano-1-(4-phthalimidopiperidino)phthalazine

1-[4-[[1-(tert-butyl)-1,1-dimethylsilyl]oxy]piperidino]-4-[(3-chloro-4-methoxybenzyl)amino]-6-phthalazine carbonitrile

4-[(3-chloro-4-methoxybenzyl)amino]-1-[4-oxopiperidino]-6-phthalazine carbonitrile

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