Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate

Base Information

• Chemical Name: Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate
• CAS No.: 63843-89-0
• Deprecated CAS: 116797-83-2,71714-47-1,71714-47-1
• Molecular Formula: C42H72N2O5
• Molecular Weight: 685.044
• European Community (EC) Number: 264-513-3
• DSSTox Substance ID: DTXSID1070014
• Nikkaji Number: J33.565G
• Wikidata: Q72446708
• Mol file: 63843-89-0.mol

Synonyms:63843-89-0;Tinuvin 144;BIS(1,2,2,6,6-PENTAMETHYL-4-PIPERIDYL) [[3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL]METHYL]BUTYLMALONATE;Di-(1,2,2,6,6-pentamethyl-4-piperidyl)-2-butyl-2-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate;EINECS 264-513-3;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;EC 264-513-3;Bis(1,2,2,6,6-pentamethyl-4-piperidyl) ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)butylmalonate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate;Propanedioic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)butyl-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester;Bis(1,2,2,6,6-pentamethyl-4-piperidyl) Butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate;Propanedioic acid, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-2-butyl-, 1,3-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester;Propanedioic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butyl-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester;SCHEMBL31364;DTXSID1070014;C42H72N2O5;MFCD00134703;AKOS015900231;C42-H72-N2-O5;LS-120062;B6267;A929218;W-111228;2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-2-butyl-propanedioic acid 1,3-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester;Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl) -4-hydroxyphenyl]methyl]butylmal;bis(1,2,2,6,6-pentamethylpiperidin-4-yl)2-butyl-2-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate;di(1,2,2,6,6-pentamethylpiperid-4-yl) 2-n-butyl-2-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate;Propanedioic acid, [[3,5-bis(1,1-dimethylethyl) -4-hydroxyphenyl]methyl]butyl-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester;Propanedioic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxylphenyl]methyl]butyl-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester;Propanedioic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butyl-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl)ester

Chemical Property of Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate

Chemical Property:

• Appearance/Colour: White to slightly yellow powder
• Vapor Pressure: 3.41E-17mmHg at 25°C
• Melting Point: 147-149 °C(Solv: methanol (67-56-1); tetrahydrofuran (109-99-9))
• Refractive Index: 1.53
• Boiling Point: 644.2 °C at 760 mmHg
• PKA: 11.99±0.40(Predicted)
• Flash Point: 343.4 °C
• PSA: 79.31000
• Density: 1.04 g/cm³
• LogP: 8.97130
• Water Solubility.: 1mg/L at 20℃
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 684.54412340
• Heavy Atom Count: 49
• Complexity: 1040

Purity/Quality:

99.18% min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C(=O)OC3CC(N(C(C3)(C)C)C)(C)C

Technology Process of Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate

There total 3 articles about Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate 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: 85.08%

2-n-butylmalonic acid bis(1,2,2,6,6-pentamethylpiperidin-4-yl) ester + N,N-dimethyl-(3,5-di-tert-butyl-4-hydroxybenzyl)amine (88-27-7) → di(1,2,2,6,6-pentamethylpiperid-4-yl) butyl-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate (63843-89-0)

Guidance literature:

With KF supported γ-Al2O3 catalyst; In 5,5-dimethyl-1,3-cyclohexadiene; at 145 ℃; for 6h; Solvent; Temperature;

Reference yield:

1,2,2,6,6-pentamethyl-piperidin-4-ol (2403-89-6) + diethyl butylmalonate (133-08-4) → di(1,2,2,6,6-pentamethylpiperid-4-yl) butyl-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate (63843-89-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: toluene / 0.5 h / 110 °C / Inert atmosphere

1.2: 10 h / Reflux

2.1: lithium acetate / toluene / 12 h / 122 °C / Reflux

With lithium acetate; In toluene;

Reference yield:

→ di(1,2,2,6,6-pentamethylpiperid-4-yl) butyl-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate (63843-89-0)

Guidance literature:

upstream raw materials:

N,N-dimethyl-(3,5-di-tert-butyl-4-hydroxybenzyl)amine

1,2,2,6,6-pentamethyl-piperidin-4-ol

diethyl butylmalonate

Refernces

• 1、 -. "Method for preparing weather-proof anti-aging auxiliary agent simultaneously containing hindered phenol and hindered amine structures". Paragraph 0022; 00230022; 0023; 0034; 0035; 0036-0040. . Retrieved 2016/10/08.
• 2、 -. "Benzophenone uv-absorbers with heterocyclic substituents". . . Retrieved 2008/06/13.