1-(4-Chlorobenzhydryl)piperazine

Base Information

• Chemical Name: 1-(4-Chlorobenzhydryl)piperazine
• CAS No.: 303-26-4
• Molecular Formula: C17H19ClN2
• Molecular Weight: 286.804
• Hs Code.: 29339900
• European Community (EC) Number: 206-137-4
• NSC Number: 86164
• UNII: T875VN0D6E
• DSSTox Substance ID: DTXSID00891490
• Nikkaji Number: J50.575G
• Wikidata: Q27076864
• ChEMBL ID: CHEMBL81324
• Mol file: 303-26-4.mol

Synonyms:N-(p-chlorobenzhydryl)piperazine;norchlorcyclizine;norchlorcyclizine hydrochloride;norchlorcyclizine monohydrochloride

Chemical Property of 1-(4-Chlorobenzhydryl)piperazine

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 6.66E-07mmHg at 25°C
• Melting Point: 65-70 °C(lit.)
• Refractive Index: 1.5749 (estimate)
• Boiling Point: 409.1 °C at 760 mmHg )
• PKA: 8.99±0.10(Predicted)
• Flash Point: 193.3 °C
• PSA: 15.27000
• Density: 1.158 g/cm³
• LogP: 3.60130
• Storage Temp.: Refrigerator
• Solubility.: soluble in Methanol
• Water Solubility.: 144.6mg/L at 25℃
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 286.1236763
• Heavy Atom Count: 20
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

1-[(4-Chlorophenyl)phenylmethyl]piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
• Uses: A metabolite of Cetirizine (C281100) and Hydroxyzine. Citirizine impurity A. Cetrizine Dihydrochloride intermediate

Technology Process of 1-(4-Chlorobenzhydryl)piperazine

There total 17 articles about 1-(4-Chlorobenzhydryl)piperazine 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: 97.9%

→ N-(4-chlorobenzhydryl)piperazine (303-26-4)

Guidance literature:

Reference yield: 84.8%

1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl]piperazine (163837-56-7) + 4-hydroxy-benzoic acid (99-96-7) → N-(4-chlorobenzhydryl)piperazine (303-26-4)

Guidance literature:

With sodium hydroxide; sodium chloride; hydrogen bromide; In hexane; water; acetic acid; toluene;

Reference yield: 57.0%

piperazine (110-85-0) + 1-chloro-4-(chloro(phenyl)methyl)benzene (134-83-8,60035-71-4) → N-(4-chlorobenzhydryl)piperazine (303-26-4)

Guidance literature:

With K₂CO₃; Ki; In dichloromethane; butanone;

upstream raw materials:

piperazine-1-carbaldehyde

1-chloro-4-(chloro(phenyl)methyl)benzene

piperazine

(R)-(+)-4-(4-chlorophenyl)-phenylmethyl-piperazine-1-carboxylic acid-2,2,2-trichloroethylester hydrochloride

Downstream raw materials:

4-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-butylamine

4-Ethyl-4,7-dihydro-2-<4-(4-chlorobenzhydryl)piperazinyl>-7-oxothiazolo<4,5-b>pyridine-6-carboxylic Acid

(2-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-ethyl)-(2,6-dimethyl-3-nitro-pyridin-4-yl)-amine; hydrochloride

4-[(4-chlorophenyl)phenylmethyl]-N-(6-methoxy-4-methyl-8-quinolinyl)-1-piperazinehexanamide

Refernces

• 1、 Vohra, Mohit,Sandbhor, Mahendra,Wozniak, Andrew. "Efficient synthesis of deuterium labeled hydroxyzine and aripiprazole". . p. 304 - 307. Retrieved 2015/06/25.
• 2、 Shivprakash,Reddy, G. Chandrasekara. "Stereoselective synthesis of (z)-1-benzhydryl-4-cinnamylpiperazines via the wittig reaction". supporting information. p. 600 - 609. Retrieved 2014/01/17.