2,2,8,8-Tetramethylnona-3,6-diyn-5-one

Base Information

• Chemical Name: 2,2,8,8-Tetramethylnona-3,6-diyn-5-one
• CAS No.: 35845-67-1
• Molecular Formula: C13H18 O
• Molecular Weight: 190.285
• DSSTox Substance ID: DTXSID60336635
• Nikkaji Number: J142.128J
• Wikidata: Q82103876
• Mol file: 35845-67-1.mol

Synonyms:2,2,8,8-tetramethylnona-3,6-diyn-5-one;35845-67-1;1,5-Di-tert-butyl-1,4-pentadiyn-3-one;2,2,8,8-Tetramethyl-3,6-nonadiyn-5-one;3,6-Nonadien-5-one, 2,2,8,8-tetramethyl-;F0400-0011;SCHEMBL7591611;DTXSID60336635;4-Ethoxy-2-fluorophenylboronicacid;MFCD00181392;AKOS002211298;CS-0272382;EU-0039230;2,2,8,8-tetramethyl-nona-3,6-diyn-5-one;EN300-68991;VU0091127-2;2,2,8,8-Tetramethyl-3,6-nonadiyn-5-one #;3,6-Nonadiyn-5-one, 2,2,8,8-tetramethyl-;SR-01000443116;SR-01000443116-1;2,2,8,8-Tetramethyl-3,6-nonadiyn-5-one, AldrichCPR

Chemical Property of 2,2,8,8-Tetramethylnona-3,6-diyn-5-one

Chemical Property:

• Vapor Pressure: 0.0141mmHg at 25°C
• Melting Point: 63 °C
• Refractive Index: 1.474
• Boiling Point: 258°C at 760 mmHg
• Flash Point: 99.6°C
• PSA: 17.07000
• Density: 0.919g/cm³
• LogP: 2.65450
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 310

Purity/Quality:

98% ^*data from raw suppliers

2,2,8,8-TETRAMETHYL-3,6-NONADIYN-5-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C#CC(=O)C#CC(C)(C)C

Technology Process of 2,2,8,8-Tetramethylnona-3,6-diyn-5-one

There total 9 articles about 2,2,8,8-Tetramethylnona-3,6-diyn-5-one 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: 89.0%

2,2,8,8-tetramethyl-3,6-nonadiyne-5-ol (50428-39-2) → 2,2,8,8-tetramethylnona-3,6-diyn-5-one (35845-67-1)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 24h; Molecular sieve; Inert atmosphere;

DOI:10.1002/anie.200902760

Reference yield:

5-chloro-5-(3,3-dimethyl-but-1-ynyl)-2,2,8,8-tetramethyl-nona-3,6-diyne (861802-88-2) + chromium(lll) acetate (1066-30-4) → 2,2,8,8-tetramethylnona-3,6-diyn-5-one (35845-67-1) + Trimethylacetic acid (75-98-9)

Guidance literature:

DOI:10.1021/ja01297a001

Reference yield:

5-chloro-5-(3,3-dimethyl-but-1-ynyl)-2,2,8,8-tetramethyl-nona-3,6-diyne (861802-88-2) → 2,2,8,8-tetramethylnona-3,6-diyn-5-one (35845-67-1)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1021/ja01297a001

upstream raw materials:

5-chloro-5-(3,3-dimethyl-but-1-ynyl)-2,2,8,8-tetramethyl-nona-3,6-diyne

chromium(lll) acetate

2,2,8,8-tetramethyl-3,6-nonadiyne-5-ol

acetic acid

Downstream raw materials:

5-tert-butyl-2-((Z)-2,2-dimethyl-propylidene)-1-phenyl-1,2-dihydro-arsol-3-one

2,2,8,8-tetramethyl-nona-3,6-diyn-5-one tosylhydrazone

3-benzhydrylidene-5-tert-butyl-2-((Z)-2,2-dimethyl-propylidene)-1-phenyl-2,3-dihydro-1H-arsole

[2,2-Bis-(3,3-dimethyl-but-1-ynyl)-cyclopropyl]-benzene

Refernces

Chalcogenopyranones from disodium chalcogenide additions to 1,4- pentadiyn-3-ones. The role of enol ethers as intermediates

10.1002/jhet.5570360322

The research focuses on the synthesis of 4H-chalcogenopyran-4-ones using disodium chalcogenides and enol ethers derived from 1,4-pentadiyn-3-ones. Key chemicals involved include diynones such as 1,5-diphenyl-1,4-pentadiyn-3-one (2a), 1,5-di-tert-butyl-1,4-pentadiyn-3-one (2b), and 1,5-di-(4-N,N-dimethylaminophenyl)-1,4-pentadiyn-3-one (2c), which are reacted with disodium chalcogenides like disodium sulfide, disodium selenide, and disodium telluride. Enol ethers 9 are formed as intermediates from the addition of ethanol to diynones in sodium ethoxide/ethanol, and these enol ethers react with disodium chalcogenides to yield 2,6-disubstituted chalcogenopyranones with high selectivity. The study also examines the addition of hydrogen sulfide to diynones and the role of intermediates in the formation of chalcogenopyranones and dihydrochalcogenophenes. The research aims to improve the synthesis of chalcogenopyranones, which have applications in various fields including as electron-accepting materials in electrophotography and as heat-generating elements in optical recording.

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