1,3-Dimethylpiperazine

Base Information

• Chemical Name: 1,3-Dimethylpiperazine
• CAS No.: 22317-01-7
• Molecular Formula: C6H14N2
• Molecular Weight: 114.191
• Hs Code.: 2933599090
• European Community (EC) Number: 830-501-7
• DSSTox Substance ID: DTXSID901347682
• Nikkaji Number: J3.308.335A
• Mol file: 22317-01-7.mol

Synonyms:1,3-Dimethylpiperazine;22317-01-7;1,3-Dimethyl-piperazine;MFCD11858481;Piperazine, 1,3-dimethyl-;1, 3-dimethylpiperazine;SCHEMBL82072;FMMUNDXXVADKHS-UHFFFAOYSA-N;DTXSID901347682;BCP14054;AKOS017385865;SB21797;SB30866;SB35564;AM100533;BS-12947;SY102190;SY185534;SY253626;EN300-73724;F12388;A878605;Z1162470821;(R)-1,3-Dimethylpiperazine oxalate;(R)-1,3-Dimethyl-piperazine dihydrochloride;R-4MEMP

Chemical Property of 1,3-Dimethylpiperazine

Chemical Property:

• Boiling Point: 148℃
• PKA: 9.34±0.40(Predicted)
• Flash Point: 46℃
• PSA: 15.27000
• Density: 0.855
• LogP: 0.17660
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.115698455
• Heavy Atom Count: 8
• Complexity: 72.9

Purity/Quality:

98%Min ^*data from raw suppliers

1,3-dimethylpiperazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C

Technology Process of 1,3-Dimethylpiperazine

There total 7 articles about 1,3-Dimethylpiperazine 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: 76.19%

1-benzyl-2,4-dimethylpiperazine (109055-55-2) → 1,3-dimethyl-piperazine (22317-01-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

Reference yield: 66.6%

1-carbethoxy-2,4-dimethylpiperazine (114649-85-3) → 1,3-dimethyl-piperazine (22317-01-7)

Guidance literature:

With hydrogenchloride; for 48h; Heating;

Reference yield:

N-methyl-ethane-1,2-diamine (109-81-9) + 2-oxopropanal (78-98-8) → 1,3-dimethyl-piperazine (22317-01-7)

Guidance literature:

With glucose-6-phosphate dehydrogenase; glucose-6-phosphate; Myxococcus stipitatus R-selective imine reductase; NADPH; magnesium chloride; In aq. phosphate buffer; at 25 ℃; for 4h; pH=7; Enzymatic reaction;

DOI:10.1021/acscatal.8b00291

upstream raw materials:

1-carbethoxy-2,4-dimethylpiperazine

1-benzyl-2,4-dimethylpiperazine

1-benzyl-2-methylpiperazine

3-methylpiperazin-2-one

Downstream raw materials:

5,11-Dihydro-11-[(2,4-dimethyl-1-piperazinyl)acetyl]-6H-pyrido-[2,3-b][1,4]benzodiazepin-6-one-hydrochloride

C₃₅H₃₅FN₆O₄S

1-(N,N-dimethylcarbamoyl)-2,4-dimethylpiperazine

Cyclohexyl-(2,4-dimethyl-piperazin-1-yl)-methanone

Refernces

• 1、 Charles, Elisabeth S.,Sharma, Satyavan. "Studies in Potential Filaricides: Part 20 - Synthesis of 1,4-Disubstituted Piperazines as Diethylcarbamazine Analogs". . p. 752 - 756. Retrieved 2007/10/02.
• 2、 FAILLA,MASSAROLI,SCURI,SIGNORELLI. "PREPARATION AND PHARMACOLOGICAL PROPERTIES OF SOME". . p. 269 - 285. Retrieved 2007/10/04.