1-(2-Pyrimidyl)piperazine hydrochloride

Base Information

• Chemical Name: 1-(2-Pyrimidyl)piperazine hydrochloride
• CAS No.: 78069-54-2
• Molecular Formula: C₈H₁₂N₄*ClH
• Molecular Weight: 200.671
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10384767
• ChEMBL ID: CHEMBL1343342
• Mol file: 78069-54-2.mol

Synonyms:78069-54-2;1-(2-pyrimidyl)piperazine hydrochloride;2-(piperazin-1-yl)pyrimidine hydrochloride;2-(1-piperazinyl)-pyrimidine hydrochloride;Pyrimidine, 2-(1-piperazinyl)-, monohydrochloride;2-piperazin-1-ylpyrimidine;hydrochloride;2-(Piperazin-1-yl)pyrimidine xhydrochloride;2-piperazin-1-ylpyrimidine,hydrochloride;SMR000059057;MLS000069476;SCHEMBL924147;1-(2-Pyrimidyl)piperazine HCl;CHEMBL1343342;2-(1-piperazinyl)pyrimidine HCl;DTXSID10384767;NWJLHLTVRVTJGR-UHFFFAOYSA-N;2-piperazinopyrimidine hydrochloride;AKOS015849727;1-(2-pyrimidinyl)piperazine hydrochloride;2-(1-piperazinyl)-pyrimidinehydrochloride;2-piperazin-1-yl-pyrimidine hydrochloride;1-(2-pyrimi-dinyl)piperazine hydrochloride;1-(2-pyrimidinyl) piperazine hydrochloride;A9847;CS-0319429;FT-0655980;D87605;J-506536;123319-76-6

Chemical Property of 1-(2-Pyrimidyl)piperazine hydrochloride

Chemical Property:

• Melting Point: 250-251.5 °C (decomp)
• Boiling Point: 328 °C at 760 mmHg
• Flash Point: 152.1 °C
• PSA: 41.05000
• LogP: 1.08200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 200.0828741
• Heavy Atom Count: 13
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

2-(1-piperazinyl)-pyrimidinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NC=CC=N2.Cl

Technology Process of 1-(2-Pyrimidyl)piperazine hydrochloride

There total 2 articles about 1-(2-Pyrimidyl)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: 86.5%

1-piperazinecarboxylic acid 4-(2-pyrimidinyl)-, 1,1-dimethylethyl ester (780705-64-8) → 1-(2-pyrimidinyl)piperazine hydrochloride (78069-54-2,94021-22-4,123319-76-6)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 25 ℃; for 16h;

Reference yield:

2-aminopyrimidine (109-12-6) + bis-(2-chloroethyl)amine hydrochloride (821-48-7) → 1-(2-pyrimidinyl)piperazine hydrochloride (78069-54-2,94021-22-4,123319-76-6)

Guidance literature:

With potassium carbonate; In butan-1-ol; for 8h; Reflux;

DOI:10.1016/j.bmc.2015.12.010

Reference yield: 75.2%

1-(2-pyrimidinyl)piperazine hydrochloride (78069-54-2,94021-22-4,123319-76-6) → N-(2-pyridinyl)piperazine (20980-22-7)

Guidance literature:

With potassium carbonate; at 20 ℃; for 2h;

DOI:10.1002/ardp.200300721

upstream raw materials:

1-piperazinecarboxylic acid 4-(2-pyrimidinyl)-, 1,1-dimethylethyl ester

2-aminopyrimidine

bis-(2-chloroethyl)amine hydrochloride

Downstream raw materials:

1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

N-(2-pyridinyl)piperazine

1-phenyl-3-(4-pyrimidin-2-yl-piperazin-1-yl)-propan-1-ol

5-Chloro-2-methoxy-N-(4-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)phenyl)benzene-sulfonamide

Refernces

• 1、 -. "Full synthesis method of eptapirone". Paragraph 0089; 0126; 0127; 0128; 0137. . Retrieved 2018/09/12.
• 2、 Paudel, Suresh,Acharya, Srijan,Yoon, Goo,Kim, Kyeong-Man,Cheon, Seung Hoon. "Exploration of substituted arylpiperazine–tetrazoles as promising dual norepinephrine and dopamine reuptake inhibitors". . p. 5546 - 5555. Retrieved 2016/10/22.