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1118-71-4

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  • 2,2,6,6-Tetramethylheptane-3,5-dione Manufacturer/High quality/Best price/In stock CAS NO.1118-71-4

    Cas No: 1118-71-4

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1118-71-4 Usage

Chemical Properties

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

Uses

Different sources of media describe the Uses of 1118-71-4 differently. You can refer to the following data:
1. suzuki reaction
2. 2,2,6,6-tetramethyl-3,5-heptanedione was used in the synthesis of α-aryl-β-diketones1 and dicyanamidobenzene-bridge diruthenium complex.
3. 2,2,6,6-Tetramethyl-3,5-heptanedione is a beta diketone with antibacterial activity.

Synthesis Reference(s)

Journal of the American Chemical Society, 100, p. 5428, 1978 DOI: 10.1021/ja00485a030

General Description

Acylation, a replacement to silylation, allows the conversion of compounds that consist of active hydrogens (-OH, -SH and -NH) into esters, thioesters, and amides via the action of a carboxylic acid or derivative. The carbonyl group adjacent to the halogenated carbons is known to improve the electron capture detector (ECD) response. Acylation has several advantages:It enhances the stability of compounds by protecting unstable groups.It may confer volatility on substances like carbohydrates or amino acids, that have several polar groups that they are non-volatile and usually decompose on heating.It facilitates the separations not possible with underivatized compounds.Compounds are detectable at very low levels with an ECD.2,2,6,6-Tetramethyl-3,5-heptanedione is a reagent used to form fragmentation-directing derivatives for GC/MS analysis.

Check Digit Verification of cas no

The CAS Registry Mumber 1118-71-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,1 and 8 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1118-71:
(6*1)+(5*1)+(4*1)+(3*8)+(2*7)+(1*1)=54
54 % 10 = 4
So 1118-71-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7,12H,1-6H3/b8-7-

1118-71-4 Well-known Company Product Price

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  • TCI America

  • (D1678)  Dipivaloylmethane  >97.0%(GC)

  • 1118-71-4

  • 5g

  • 320.00CNY

  • Detail
  • TCI America

  • (D1678)  Dipivaloylmethane  >97.0%(GC)

  • 1118-71-4

  • 25g

  • 1,150.00CNY

  • Detail
  • Alfa Aesar

  • (A15118)  2,2,6,6-Tetramethyl-3,5-heptanedione, 98%   

  • 1118-71-4

  • 5g

  • 266.0CNY

  • Detail
  • Alfa Aesar

  • (A15118)  2,2,6,6-Tetramethyl-3,5-heptanedione, 98%   

  • 1118-71-4

  • 25g

  • 1167.0CNY

  • Detail
  • Alfa Aesar

  • (A15118)  2,2,6,6-Tetramethyl-3,5-heptanedione, 98%   

  • 1118-71-4

  • 100g

  • 3960.0CNY

  • Detail
  • Alfa Aesar

  • (L14527)  2,2,6,6-Tetramethyl-3,5-heptanedione, 99+%   

  • 1118-71-4

  • 5g

  • 630.0CNY

  • Detail
  • Alfa Aesar

  • (L14527)  2,2,6,6-Tetramethyl-3,5-heptanedione, 99+%   

  • 1118-71-4

  • 25g

  • 2337.0CNY

  • Detail
  • Sigma-Aldrich

  • (87851)  2,2,6,6-Tetramethyl-3,5-heptanedione  for GC derivatization, ≥98.0%

  • 1118-71-4

  • 87851-5ML

  • 478.53CNY

  • Detail
  • Sigma-Aldrich

  • (87851)  2,2,6,6-Tetramethyl-3,5-heptanedione  for GC derivatization, ≥98.0%

  • 1118-71-4

  • 87851-25ML

  • 1,590.03CNY

  • Detail

1118-71-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2,6,6-Tetramethyl-3,5-Heptanedione

1.2 Other means of identification

Product number -
Other names 2,2,6,6-Tetramethylheptane-3,5-dione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1118-71-4 SDS

1118-71-4Related news

Regular articleThermochemical studies of 2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE (cas 1118-71-4) chelates of scandium group elements09/27/2019

The standard molar enthalpies of formation of crystalline chelates M(thd)3, (M=Sc, Y, La; and thd=2,2,6,6-tetramethyl-3,5-heptanedionate), determined by reaction-solution calorimetry atT=(298.15±0.02) K, were found to be −(2317.83±11.7) kJ · mol−1, −(2386.1±11.4) kJ · mol−1, and −(2442.2±1...detailed

Interaction of 2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE (cas 1118-71-4) with the Si(1 0 0)-2 × 1 surface: Scanning tunneling microscopy and density functional theory study09/25/2019

Room temperature adsorption and reaction of 2,2,6,6-tetramethyl-3,5-heptanedione (dpmH) on the Si(1 0 0)-2 × 1 surface has been studied with ultra-high vacuum scanning tunneling microscopy (UHV-STM) and temperature programmed desorption (TPD). The molecule is found to chemisorb as a mixture of ...detailed

Thermochemistry of 2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE (cas 1118-71-4) chelates of lanthanide group elements09/24/2019

Solution-reaction calorimetry was used to determine the standard molar (p′=0.10 Mpa) enthalpies of formation of crystalline chelates Ln(thd)3 (Ln=Nd, Sm, Gd, Tb, Er, Tm, Yb, Lu and thd=2,2,6,6-tetramethyl-3,5-heptanedionate), at (T=298.15±0.02) K, to give: 40.54±1.21; 37.77±1.78; 8.06±0.80;...detailed

Molecular level investigation of 2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE (cas 1118-71-4) on Si(1 0 0)-2 × 1: Spectroscopic and computational studies09/10/2019

The molecular level chemistry of 2,2,6,6-tetramethyl-3,5-heptanedione (dpmH) has been investigated on a Si(1 0 0)-2 × 1 surface. The dpmH compound is a β-diketone, whose deprotonated form is used as a ligand in chemical precursors for metal-organic chemical vapor deposition (MOCVD). A combinat...detailed

1118-71-4Relevant articles and documents

Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates

Crossman, Aaron S.,Larson, Alec T.,Shi, Jake X.,Krajewski, Sebastian M.,Akturk, Eser S.,Marshak, Michael P.

, p. 7434 - 7442 (2019)

Bulky β-diketones have rarely exceeded dipivaloylmethane (DPM) in steric demand, largely due to synthetic limitations of the Claisen condensation. This work demonstrates hindered acid chlorides to be selective electrophiles in noncoordinating solvents for condensations with enolates. An improved synthesis of DPM is described (90% yield), and crowded β-diketones featuring bulky o-biphenyl or m-terphenyl fragments were prepared in good to excellent yields. These compounds are anticipated to have a steric profile far greater than that of DPM. General reaction conditions and mechanistic considerations are included.

Kopecky et al.

, p. 1036 (1962)

AUTOMATIC ASSEMBLY OF SKELETON STRUCTURES. 3. STEREOSELECTIVE SYNTHESIS, STEREOCHEMISTRY, AND CYCLIZATION OF d,l-α,α'-DIOXY-α,α'-DI-tert-BUTYLGLUTARIC ACID

Vystorop, I. V.,El'natanov, Yu. N.,Kostyanovskii, R. G.

, p. 1227 - 1234 (1992)

Stereoselective synthesis of d,l-α,α'-dioxy-α,α'-di-tert-butylglutaric acid hydroxyiminolactonitrile (3) was conducted by the reaction of dipivaloylmethane with HCN in ether.The corresponding hydroxylacetonitrile (4) and amide (5), acid (6), and its ester (7), from which dilactone (8) was synthesized with preparative yields, were obtained from 3.Benzyl amide (9) was obtained by the reaction of 8 with BnNH2.The iminolactone structure 3 of dipivaloylmethane bis-cyanohydrin, the cis-pseudo-a orientation of the functional substituents in 3-7 and 9, and the structureof the dilactone 8 were confirmed by the 1H, 13C NMR, IR and mass spectra.Keywords: stereoselective synthesis, stereochemistry, cyclization, γ-lactone, 1H and 13C NMR, mass spectra.

Method for synthesizing 1, 3-dicarbonyl compound based on terminal alkyne and acyl halide by one-pot process

-

Paragraph 0069-0074; 0135-0137, (2020/07/21)

The invention belongs to the technical field of catalytic synthesis, and discloses a method for synthesizing a 1, 3-dicarbonyl compound by a one-pot process, and the method comprises the following steps: by using simple palladium and copper salts as catalysts, reacting terminal alkyne with acyl halide at 0-80 DEG C for 0.5-12 hours under the action of trifluoromethanesulfonic acid to obtain the 1,3-dicarbonyl compound, wherein the molar ratio of the terminal alkyne to the acyl halide to the palladium salt to the copper salt to the trifluoromethanesulfonic acid is 1 to (1 to 2) to (0.00001 to0.10) to (0.00001 to 0.10) to (0.00004 to 0.40); the catalysts used in the method are common the commercialized palladium salt and copper salt, reagents used in the reaction are commercialized reagents, in addition, the raw materials are cheap and easy to obtain, functional group tolerance is good, reaction conditions are mild, operation is easy and convenient, and atom economy is high.

Synthesis method of 2,2,6,6-tetramethyl-3,5-heptadione

-

Paragraph 0052-0055, (2017/08/27)

The invention discloses a synthesis method of 2,2,6,6-tetramethyl-3,5-heptadione. The synthesis method comprises the following steps: a, material feeding: mixing methyl trimethylacetate, alkali and a solvent, and uniformly stirring for 0.5 to 3 hours to obtain a mixed solution; b, reaction: continuously stirring the mixed solution in the step a under a heating condition at the temperature of 20 to 60 DEG C, slowly dripping tert-butyl methyl ketone into the mixed solution, and generating reaction at normal pressure for 8 to 48 hours to obtain reaction liquid containing a product; c, purification: adding water into the reaction liquid in the step b, uniformly stirring, and performing purification. Due to the mode, the synthesis method disclosed by the invention is easy to operate, low in cost and favorable for realizing industrialization, and can meet the technological requirement on green chemistry.

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