Piperidine, acetate

Base Information

• Chemical Name: Piperidine, acetate
• CAS No.: 4540-33-4
• Molecular Formula: C5H11N.C2H4O2
• Molecular Weight: 145.202
• Hs Code.: 2933399090
• UNII: 2MH8KA3CDZ
• Mol file: 4540-33-4.mol

Synonyms:Piperidine, acetate;EINECS 224-890-7;2MH8KA3CDZ;SCHEMBL192668;MFCD06797161;AKOS015963817;CS-W004746;P1481

Chemical Property of Piperidine, acetate

Chemical Property:

• Vapor Pressure: 28.3mmHg at 25°C
• Melting Point: 106oC
• Boiling Point: 106.4°C at 760 mmHg
• Flash Point: 4.4°C
• PSA: 49.33000
• Density: 0.9366 g/cm3
• LogP: 1.17960
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 61.9

Purity/Quality:

99.9% ^*data from raw suppliers

Piperidinium acetate 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)O.C1CCNCC1

Technology Process of Piperidine, acetate

There total 10 articles about Piperidine, acetate 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: 98.0%

piperidine (110-89-4) + acetic acid (64-19-7,77671-22-8) → piperdinium acetate (4540-33-4)

Guidance literature:

In water; Cooling with ice;

DOI:10.1039/c9ra05975j

Reference yield: 80.0%

[2-(4,5-Dimethyl-2-piperidin-1-yl-[1,3]dithiol-2-yl)-benzo[1,3]dithiol-2-yl]-phosphonic acid diethyl ester (206666-54-8) → 1-piperidin-1-yl-ethanone (618-42-8) + dimethyl benzotetrathiafulvalene (65220-59-9) + Diethyl phosphate (598-02-7) + piperdinium acetate (4540-33-4)

Guidance literature:

With acetic acid; Ambient temperature; AcOH : Educt ratio = 10;

DOI:10.1016/S0040-4039(98)00061-6

Reference yield:

[2-(4,5-Dimethyl-2-piperidin-1-yl-[1,3]dithiol-2-yl)-benzo[1,3]dithiol-2-yl]-phosphonic acid diethyl ester (206666-54-8) → 1-piperidin-1-yl-ethanone (618-42-8) + diethyl benzo[d][1,3]dithiol-2-yl-phosphonate (62217-21-4) + dimethyl benzotetrathiafulvalene (65220-59-9) + Diethyl phosphate (598-02-7) + piperdinium acetate (4540-33-4) + 4,5-dimethyl-[1,3]dithiol-2-one (49675-88-9)

Guidance literature:

With acetic acid; Mechanism; Product distribution; Ambient temperature; effect of AcOH ratio;

DOI:10.1016/S0040-4039(98)00061-6

upstream raw materials:

piperidine

acetic acid

[2-(4,5-Dimethyl-2-piperidin-1-yl-[1,3]dithiol-2-yl)-benzo[1,3]dithiol-2-yl]-phosphonic acid diethyl ester

cyanoacetic acid amide

Downstream raw materials:

1,1'-Methylenebis(2,4,6-trimethoxybenzene)

ethyl 1,2-dimethyl-4-oxocyclohex-2-ene-1-carboxylate

2,4-hexadienal

2,4,6-octatrienal

Refernces

• 1、 Heindl, Sebastian,Lemmerer, Miran,Malzer, Nicolas,Matyasovsky, Ján,Maulide, Nuno,Riomet, Margaux. "Chemoselective γ-Oxidation of β,γ-Unsaturated Amides with TEMPO". supporting information. p. 19123 - 19127. Retrieved 2021/07/26.
• 2、 Zumbansen, Kristina,Doehring, Arno,List, Benjamin. "Morpholinium trifluoroacetate-catalyzed aldol condensation of acetone with both aromatic and aliphatic aldehydes". experimental part. p. 1135 - 1136. Retrieved 2010/09/05.