1-(4,4'-Dichlorobenzhydryl)piperazine

Base Information

• Chemical Name: 1-(4,4'-Dichlorobenzhydryl)piperazine
• CAS No.: 27469-61-0
• Molecular Formula: C17H18Cl2N2
• Molecular Weight: 321.249
• Hs Code.: 2933599090
• European Community (EC) Number: 674-803-5
• NSC Number: 142496
• DSSTox Substance ID: DTXSID90301336
• Nikkaji Number: J272.148A
• Wikidata: Q82045105
• ChEMBL ID: CHEMBL422093
• Mol file: 27469-61-0.mol

Synonyms:27469-61-0;1-(4,4'-Dichlorobenzhydryl)piperazine;1-[bis(4-chlorophenyl)methyl]piperazine;1-(Bis(4-chlorophenyl)methyl)piperazine;CHEMBL422093;4,4'-Dichlorobenzhydrylpiperazine;NCI-142496;NSC142496;Piperazine, 1-[bis(4-chlorophenyl)methyl]-;SCHEMBL1137956;DTXSID90301336;PTLFMGDNZYQISN-UHFFFAOYSA-N;bis(4-chlorophenyl)methylpiperazine;AMY41584;CBA46961;BDBM50014779;MFCD00191212;AKOS003587766;NSC-142496;PS-7041;4-(bis(4-chlorophenyl)methyl)piperazine;NCI60_000932;CS-0157553;FT-0600963;1-[Bis-(4-chloro-phenyl)-methyl]-piperazine;EN300-66005;A819080;Z1029448428;1,3,5[10]-ESTRATRIENE-3,16ALPHA,17BETA-TRIOL3-CARBOXYMETHYLETHER

Chemical Property of 1-(4,4'-Dichlorobenzhydryl)piperazine

Chemical Property:

• Vapor Pressure: 1.91E-07mmHg at 25°C
• Melting Point: 107 °C
• Refractive Index: 1.599
• Boiling Point: 425.4 °C at 760 mmHg
• PKA: 8.97±0.10(Predicted)
• Flash Point: 211.1 °C
• PSA: 15.27000
• Density: 1.237 g/cm³
• LogP: 4.25470
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 320.0847040
• Heavy Atom Count: 21
• Complexity: 282

Purity/Quality:

98%min ^*data from raw suppliers

1-(4,4'-Dichlorobenzhydryl)piperazine 98.0% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Technology Process of 1-(4,4'-Dichlorobenzhydryl)piperazine

There total 7 articles about 1-(4,4'-Dichlorobenzhydryl)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: 96.0%

ethyl <4-(bis (4-chlorophenyl) methyl)-1-piperazinyl> carboxylate (154544-61-3) → 1-(4,4'-dichloro-benzhydryl)-piperazine (27469-61-0)

Guidance literature:

With sodium hydroxide; In methanol; for 72h; Heating;

DOI:10.1016/0223-5234(93)90049-K

Reference yield: 88.4%

(4-chlorophenyl)phenylmethanol (119-56-2) → 1-(4,4'-dichloro-benzhydryl)-piperazine (27469-61-0)

Guidance literature:

In dichloromethane;

Reference yield: 74.0%

piperazine (110-85-0) + chlorobis(4-chlorophenyl)methane (782-08-1) → 1-(4,4'-dichloro-benzhydryl)-piperazine (27469-61-0)

Guidance literature:

In acetonitrile; at 90 ℃; for 16h;

DOI:10.1016/j.bmc.2008.01.023

upstream raw materials:

piperazine

chlorobis(4-chlorophenyl)methane

ethyl <4-(bis (4-chlorophenyl) methyl)-1-piperazinyl> carboxylate

4,4'-dichlorobenzophenone

Downstream raw materials:

2-(2-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)ethoxy)ethanol

1--4-<3-(2-thienyl)-2-propynyl>piperazine

1-(1-Chloro-2-hydroxy-3-propanyl)-4-[bis(4-chlorophenyl)methyl]piperazine

1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)-2-ethylbutan-1-one

Refernces

• 1、 Song, Kwang-Seop,Lee, Sung-Han,Chun, Hyun Ji,Kim, Jong Yup,Jung, Myung Eun,Ahn, Kwangwoo,Kim, Soo-Un,Kim, Jeongmin,Lee, Jinhwa. "Design, synthesis and biological evaluation of piperazine analogues as CB1 cannabinoid receptor ligands". . p. 4035 - 4051. Retrieved 2008/09/21.
• 2、 -. "6-substituted purinyl piperazine derivatives". . . Retrieved 2008/06/13.