1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine Hydrochloride

Base Information

• Chemical Name: 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine Hydrochloride
• CAS No.: 52605-52-4
• Molecular Formula: C13H18Cl2N2^.HCl
• Molecular Weight: 309.666
• Hs Code.: 2933599550
• European Community (EC) Number: 258-038-0
• UNII: 2692F180CJ
• ChEMBL ID: CHEMBL3186498
• DSSTox Substance ID: DTXSID9057761
• Wikidata: Q27254074
• Mol file: 52605-52-4.mol

Synonyms:1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine Hydrochloride;52605-52-4;1-(3-Chlorophenyl)-4-(3-chloropropyl)-piperazine hydrochloride;UNII-2692F180CJ;1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride;EINECS 258-038-0;2692F180CJ;DTXSID9057761;EC 258-038-0;1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride;1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride;1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride;1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine, HCl;1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazineHydrochloride;JVLRNANYLVRULL-UHFFFAOYSA-N;Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, monohydrochloride;SCHEMBL1254640;CHEMBL3186498;DTXCID0031550;AMY3600;Tox21_113914;MFCD00067039;AKOS015897793;AC-7638;CS-W009317;NCGC00262916-01;AS-13192;BP-12834;CAS-52605-52-4;C1608;FT-0605822;EN300-7357003;A824629;W-105809;W-106421;Q27254074;Z3071317850;1-(3-Chlorophenyl)-4-(3-chloroproyl)piperazine hydrochloride;1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride, 97%;PIPERAZINE, 1-(3-CHLOROPHENYL)-4-(3-CHLOROPROPYL)-, HYDROCHLORIDE (1:1)

Chemical Property of 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine Hydrochloride

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 1.79E-06mmHg at 25°C
• Melting Point: 198-203 °C(lit.)
• Boiling Point: 395.8 °C at 760 mmHg
• Flash Point: 193.2 °C
• PSA: 6.48000
• LogP: 3.89580
• Storage Temp.: Refrigerator
• Water Solubility.: 3.9g/L at 28℃
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 308.061382
• Heavy Atom Count: 18
• Complexity: 218

Purity/Quality:

≥99.0% ^*data from raw suppliers

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine Hydrochloride >97.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1CCCCl)C2=CC(=CC=C2)Cl.Cl
• Uses: 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride is an arylpiperazine compound which is an important intermediate in the preparation of various pharmaceuticals, such as Trazodone (T718500), used to treat depression and post-traumatic stress.

Technology Process of 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine Hydrochloride

There total 4 articles about 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine 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: 88.0%

1-(3-chlorophenyl)piperazine hydrochloride (13078-15-4,51639-49-7,65369-76-8) + 1.3-chlorobromopropane (109-70-6) → 1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride (52605-52-4)

Guidance literature:

1-(3-chlorophenyl)piperazine hydrochloride; 1.3-chlorobromopropane; With tetrabutylammomium bromide; potassium carbonate; In acetonitrile; for 0.0111111h; Microwave irradiation;

With hydrogenchloride; In 1,4-dioxane; acetone; Solvent;

DOI:10.3390/molecules24081609

Reference yield: 55.6%

ice-H2 O + 1-(3-chlorophenyl)piperazine hydrochloride (13078-15-4,51639-49-7,65369-76-8) + 1.3-chlorobromopropane (109-70-6) → 1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride (52605-52-4)

Guidance literature:

With sodium hydroxide; In hydrogenchloride; water; acetone;

Reference yield:

3-chloropropanaldehyde (19434-65-2) + 1-(3-chlorophenyl)piperazine hydrochloride (13078-15-4,51639-49-7,65369-76-8) → 1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride (52605-52-4)

Guidance literature:

3-chloropropanaldehyde; 1-(3-chlorophenyl)piperazine hydrochloride; In dichloromethane; for 0.25h; Inert atmosphere;

With sodium tris(acetoxy)borohydride; In dichloromethane; Inert atmosphere;

DOI:10.1016/j.molstruc.2018.05.019

upstream raw materials:

1-(3-chlorophenyl)piperazine hydrochloride

1.3-chlorobromopropane

3-chloropropanaldehyde

Downstream raw materials:

C₃₂H₃₅ClN₆O₃

C₃₃H₃₈ClN₇O₃

C₃₄H₃₇ClN₆O₃

trazodone hydrochloride

Refernces

• 1、 Jaskowska, Jolanta,Zar eba, Przemys?aw,Sliwa, Pawe?,Pindelska, Edyta,Sata?a, Grzegorz,Majka, Zbigniew. "Microwave-assisted synthesis of trazodone and its derivatives as new 5-HT1A ligands: Binding and docking studies". . . Retrieved 2019/05/01.
• 2、 -. "PHENOXYETHYL-1,2,4-TRIAZOL-3-ONE ANTIDEPRESSANTS". . . Retrieved 2008/06/13.