4-methylpiperazine-1-carbonyl Chloride

Base Information

• Chemical Name: 4-methylpiperazine-1-carbonyl Chloride
• CAS No.: 39539-66-7
• Molecular Formula: C6H11ClN2O
• Molecular Weight: 162.619
• Hs Code.: 2933599090
• European Community (EC) Number: 628-318-0
• UNII: WVQ4QV36ET
• DSSTox Substance ID: DTXSID30388500
• Nikkaji Number: J323.125I
• Wikidata: Q72495523
• Mol file: 39539-66-7.mol

Synonyms:4-methylpiperazine-1-carbonyl Chloride;39539-66-7;4-Methyl-1-piperazinecarbonyl chloride;1-Piperazinecarbonyl chloride, 4-methyl-;4-Methyl-piperazine-1-carbonyl chloride;1-chlorocarbonyl-4-methylpiperazine;1-chlorocarbonyl-4-methyl-piperazine;4-Methylpiperazine-1-carbonylchloride;WVQ4QV36ET;SCHEMBL19486;DTXSID30388500;1-chlorocarbonyl-4methylpiperazine;FBAIGEMWTOSCRU-UHFFFAOYSA-N;1-methyl-4-chloroformyl-piperazine;1-methyl-4-chlorocarbonylpiperazine;4-methylpiperazine carbonyl chloride;4-methyl-piperzine carbonyl chloride;N-Chlorocarbonyl-N'-methylpiperazine;BBL010285;MFCD01320509;STK801538;4-Methyl-1-(Chlorocarbonyl)piperazine;AKOS005612993;N-Methylpiperazin-4-carbamoyl chloride;4-methyl-1-piperazine carbonyl chloride;4-methylpiperazin-1-ylcarbonyl chloride;4-methylpiperazin-1-yl-carbonyl chloride;VS-02427;METHYL PIPERAZINE CARBAMOYL CHLORIDE;FT-0619103;FT-0655429;4-Methyl-1-piperazinecarbonyl chloride, 97%;D87794;EN300-1154753;J-515805;F8884-6449;4-Methyl-1-piperazinecarbonyl chloride hydrochloride, 97%

Chemical Property of 4-methylpiperazine-1-carbonyl Chloride

Chemical Property:

• Vapor Pressure: 0.0256mmHg at 25°C
• Melting Point: 225-228 °C(lit.)
• Refractive Index: n20/D 1.4980(lit.)
• Boiling Point: 247.488 °C at 760 mmHg
• PKA: 6.61±0.10(Predicted)
• Flash Point: 103.478 °C
• PSA: 23.55000
• Density: 1.207 g/cm³
• LogP: 0.46840
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.0559907
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-methylpiperazine-1-carbonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=O)Cl

Technology Process of 4-methylpiperazine-1-carbonyl Chloride

There total 8 articles about 4-methylpiperazine-1-carbonyl Chloride 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: 77.0%

1-benzyl-4-methylpiperazine (62226-74-8) + bis(trichloromethyl) carbonate (32315-10-9) → 4-methyl-piperazine-1-carbonyl chloride (39539-66-7)

Guidance literature:

In dichloromethane; for 24h; Ambient temperature;

DOI:10.1080/00397919808005960

Reference yield: 73.8%

1-methyl-piperazine (109-01-3) + bis(trichloromethyl) carbonate (32315-10-9) → 4-methyl-piperazine-1-carbonyl chloride (39539-66-7)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at -10 ℃;

DOI:10.1007/s11164-012-1003-1

Reference yield: 65.14%

4-methylpiperazine-1-carbonyl chloride monohydrochloride (55112-42-0) → 4-methyl-piperazine-1-carbonyl chloride (39539-66-7)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 5 - 10 ℃; for 0.5h; pH=7.5 - 8;

upstream raw materials:

1-methyl-piperazine

phosgene

chloroform

toluene

Downstream raw materials:

4-Methyl-piperazine-1-carboxylic acid {4-[4-(7-chloro-quinolin-4-ylamino)-phenyl]-thiazol-2-yl}-amide

(2-fluorobenzoyl)-4-methylpiperazine

1-Methyl-4-[N-(3,4,5-trimethoxyphenyl)-carbamoyl]piperazine (hydrochloride)

2-acetylamino-7-chloro-1,8-naphthyridine

Refernces

• 1、 Feng, Jia-Hao,He, Qi-Wei,Hou, Ji-Qin,Hu, Xiao-Long,Long, Huan,Wang, Bao-Lin,Wang, Hao,Wang, Quan,Wang, Rong,Ye, Wen-Cai,Zhang, Li-Xin,Zhang, Xiao-Qi. "Synthesis and Biological Evaluation of Celastrol Derivatives with Improved Cytotoxic Selectivity and Antitumor Activities". . p. 1954 - 1966. Retrieved 2021/07/20.
• 2、 Xiao, Ganyuan,Li, Yan,Qiang, Xiaoming,Xu, Rui,Zheng, Yunxiaozhu,Cao, Zhongcheng,Luo, Li,Yang, Xia,Sang, Zhipei,Su, Fu,Deng, Yong. "Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease". . p. 1030 - 1041. Retrieved 2017/02/05.