4-Carboxy-1-dodecyl-1-methylpiperazinium bromide methyl ester

Base Information

• Chemical Name: 4-Carboxy-1-dodecyl-1-methylpiperazinium bromide methyl ester
• CAS No.: 109648-85-3
• Molecular Formula: Br*C₁₉H₃₉N₂O₂
• Molecular Weight: 407.435
• DSSTox Substance ID: DTXSID30911276
• Mol file: 109648-85-3.mol

Synonyms:4-Carboxy-1-dodecyl-1-methylpiperazinium bromide methyl ester;Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester;109648-85-3;DTXSID30911276;LS-113588;1-DODECYL-4-(METHOXYCARBONYL)-1-METHYLPIPERAZIN-1-IUM BROMIDE

Chemical Property of 4-Carboxy-1-dodecyl-1-methylpiperazinium bromide methyl ester

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 406.21949
• Heavy Atom Count: 24
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC[N+]1(CCN(CC1)C(=O)OC)C.[Br-]

Technology Process of 4-Carboxy-1-dodecyl-1-methylpiperazinium bromide methyl ester

There total 1 articles about 4-Carboxy-1-dodecyl-1-methylpiperazinium bromide methyl ester 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:

methyl 4-methylpiperazine-1-carboxylate (7560-85-2) + 1-dodecylbromide (143-15-7) → 1-dodecyl-4-methoxycarbonyl-1-methyl-piperazinium; bromide (109648-85-3)

Guidance literature:

DOI:10.1021/ja01566a048

upstream raw materials:

methyl 4-methylpiperazine-1-carboxylate

1-dodecylbromide