Bis(1,2,2,6,6-pentamethyl-4-piperidyl) 2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-n-butylmalonate

C42H72N2O5CAS 63843-89-0685.05 g/mol

Open in Covalent MOL file
OHOONOON
EsterPhenolTertiary amine

Properties

Molecular formula
C42H72N2O5
Molar mass
685.05 g/mol
Exact mass
684.5441 Da
Melting point
147–149 °C
logP
9.10Crippen estimate
Polar surface area
79.3 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
9

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 771 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P301+P317, P319, P330, P391, P501

Identifiers

CAS number
63843-89-0
SMILES
CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIKey
FLPKSBDJMLUTEX-UHFFFAOYSA-N
InChI
InChI=1S/C42H72N2O5/c1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7/h21-22,29-30,45H,18-20,23-27H2,1-17H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.91 (s, 2H), 5.30 (br s, 1H), 4.96 (quint, J = 7.0 Hz, 2H), 3.13 (s, 2H), 2.22 (s, 6H), 1.92 (d, J = 7.0 Hz, 8H), 1.77 (t, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 2H), 1.21 (s, 18H), 1.03 (s, 24H), 0.86 (t, J = 7.0 Hz, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 169.8, 145.7, 137.2, 135.9, 122.7, 66.2, 64.0, 60.8, 47.2, 42.6, 32.9, 31.5, 30.4, 27.2, 26.9, 26.4, 23.1, 14.0.
[M + H]+
[M + H]+ Calcd for C42H73N2O5 685.5514
[M + Na]+
[M + Na]+ Calcd for C42H72N2NaO5 707.5333
[M − H]−
[M − H]− Calcd for C42H71N2O5 683.5368
Elemental analysis
Anal. Calcd for C42H72N2O5: C, 73.64; H, 10.59; N, 4.09.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all
  • 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
  • Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate
  • Bis(1,2,2,6,6-pentamethyl-4-piperidyl) butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate
  • Bis(1,2,2,6,6-pentamethyl-4-piperidyl) α-(3,5-di-tert-butyl-4-hydroxybenzyl)-α-butylmalonate
  • Tinuvin 144
  • Sanol LS 144
  • Bis(1,2,2,6,6-pentamethyl-4-piperidyl) 2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-butyl malonate
  • Tinuvin 114
  • Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) (3,5-di-tert-butyl-4-hydroxybenzyl)butylmalonate
  • TN 144
  • Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) (3,5-di-tert-butyl-4-hydroxybenzyl)butylpropanedioate
  • 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) n-butyl-3,5-di-tert-butyl-4-hydroxybenzylmalonate
  • Tinuvin PA 144
  • Light stabilizer 144
  • Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) 2-butyl-2-(4-hydroxy-3,5-di-tert-butylbenzyl)propanedioate
  • Antioxidant 114
  • Bis(1,2,2,6,6-pentamethyl-4-piperidyl) n-butyl-3,5-di-tert-butyl-4-hydroxybenzylmalonate
  • 2-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-2-butylpropanedioic acid 1,3-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
  • Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) [3,5-bis(1,1-dimethylethyl-4-hydroxyphenyl)methyl]butylpropandioate
  • Light stabilizer 114
  • 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

Work with Bis(1,2,2,6,6-pentamethyl-4-piperidyl) 2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-n-butylmalonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate2082-79-341 % similar Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate67845-93-639 % similar Bis(1,2,2,6,6-pentamethyl-4-piperidyl) decanedioate41556-26-738 % similar 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic acid1611-03-636 % similar 2,6-Di-tert-butyl-α-(dimethylamino)-p-cresol88-27-736 % similar Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate6386-38-535 % similar 2,6-Di-tert-butyl-4-ethylphenol4130-42-135 % similar 3-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid20170-32-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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