4,4'-Trimethylenebis(1-methylpiperidine)

Base Information

• Chemical Name: 4,4'-Trimethylenebis(1-methylpiperidine)
• CAS No.: 64168-11-2
• Molecular Formula: C15H30 N2
• Molecular Weight: 238.417
• Hs Code.: 2933399090
• European Community (EC) Number: 264-717-2
• UNII: 7SUV9QUZ6M
• DSSTox Substance ID: DTXSID6070061
• Nikkaji Number: J236.490E
• Wikidata: Q72514059
• Mol file: 64168-11-2.mol

Synonyms:4,4'-Trimethylenebis(1-methylpiperidine);64168-11-2;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine;Piperidine, 4,4'-(1,3-propanediyl)bis[1-methyl-;1,3-Bis(1-methylpiperidin-4-yl)propane;EINECS 264-717-2;Piperidine, 4,4'-(1,3-propanediyl)bis(1-methyl-;4,4'-(Propane-1,3-diyl)bis(1-methylpiperidine);7SUV9QUZ6M;SCHEMBL245769;DTXSID6070061;JWOTWWORMYMZCR-UHFFFAOYSA-;MFCD00006501;4,4'-Trimethylenebis(N-methylpiperidine);AS-64811;FT-0640930;4,4'-(1,3-Propanediyl)bis[1-methylpiperidine];4,4'-(1,3-Propanediyl)bis[1-methyl-piperidine];A937425;4,4'-Trimethylenebis(1-methylpiperidine), >=98%;1-Methyl-4-[3-(1-methyl-4-piperidinyl)propyl]piperidine #

Chemical Property of 4,4'-Trimethylenebis(1-methylpiperidine)

Chemical Property:

• Appearance/Colour: Clear yellow.
• Melting Point: 13 °C(lit.)
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 215 °C50 mm Hg(lit.)
• PKA: 9.90±0.10(Predicted)
• Flash Point: 113 ºC
• PSA: 6.48000
• Density: 0.896
• LogP: 2.71610
• Sensitive.: Air Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 238.240898965
• Heavy Atom Count: 17
• Complexity: 179

Purity/Quality:

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

4,4′-Trimethylenebis(1-methylpiperidine) ≥98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCC(CC1)CCCC2CCN(CC2)C
• Uses: 4,4′-Trimethylenebis(1-methylpiperidine) has been used in the synthesis of:di-, tri- and tetracationic monomeric and homodimeric monomethine cyanine dyes for nucleic acid detectionstructure directing agents containing 4,4′-trimethylenebis(1-methylpiperidine)piperidine-based dicationic ionic liquids

Technology Process of 4,4'-Trimethylenebis(1-methylpiperidine)

There total 5 articles about 4,4'-Trimethylenebis(1-methylpiperidine) 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: 86.0%

→ 1-methyl-4-(3-(1-methylpiperidin-4-yl)propyl)piperidine (64168-11-2)

Guidance literature:

With (CuAl)O(x); hydrogen; In tetrahydrofuran; at 120 ℃; for 9h; under 3750.38 Torr;

Reference yield: 85.0%

methanol (67-56-1) + 1,3-di(piperidin-4-yl)propane (16898-52-5) → 1-methyl-4-(3-(1-methylpiperidin-4-yl)propyl)piperidine (64168-11-2)

Guidance literature:

With [(Cp*IrCl)₂(4,4′,6,6′-tetrahydroxy-2,2′-bipyrimidine)][Cl]₂; potassium hydroxide; In water; at 130 ℃; for 12h;

Reference yield: 75.0%

carbon monoxide (201230-82-2) + 1,3-di(piperidin-4-yl)propane (16898-52-5) → 1-methyl-4-(3-(1-methylpiperidin-4-yl)propyl)piperidine (64168-11-2)

Guidance literature:

With hydrogen; In hexane; at 160 ℃; for 24h;

DOI:10.1039/c3sc52676c

upstream raw materials:

carbon monoxide

1,3-di(piperidin-4-yl)propane

carbon dioxide

methanol

Refernces

• 1、 Liu, Peng,Yang, Jiazhi,Ai, Yao,Hao, Shushu,Chen, Xiaozhong,Li, Feng. "Recyclable covalent triazine framework-supported iridium catalyst for the N-methylation of amines with methanol in the presence of carbonate". . p. 281 - 290. Retrieved 2021/03/26.
• 2、 Han, Xingyou,Li, Feng,Liu, Peng,Meng, Chong,Tung, Nguyen Thanh. "N-Methylation of Amines with Methanol in Aqueous Solution Catalyzed by a Water-Soluble Metal-Ligand Bifunctional Dinuclear Iridium Catalyst". . p. 5815 - 5824. Retrieved 2020/05/26.