2,2,4,4-Tetramethylthietan-3-one

Base Information

• Chemical Name: 2,2,4,4-Tetramethylthietan-3-one
• CAS No.: 58721-01-0
• Molecular Formula: C₇H₁₂OS
• Molecular Weight: 144.238
• Hs Code.: 2934999090
• NSC Number: 135403
• DSSTox Substance ID: DTXSID40300218
• Nikkaji Number: J1.163.835J
• Wikidata: Q72507796
• Mol file: 58721-01-0.mol

Synonyms:2,2,4,4-tetramethylthietan-3-one;58721-01-0;2,2,4,4-TETRAMETHYL-3-THIETANONE;NSC135403;SCHEMBL8333281;DTXSID40300218;RDTYEOXWKJSNTK-UHFFFAOYSA-N;2,2,4,4-tetramethyl-3-oxothietane;MFCD09865540;AKOS015950395;NSC-135403;FT-0686068;H11479;J-506770

Chemical Property of 2,2,4,4-Tetramethylthietan-3-one

Chemical Property:

• Vapor Pressure: 2.4mmHg at 25°C
• Melting Point: 13-14oC
• Refractive Index: 1.5102
• Boiling Point: 160.3°C at 760 mmHg
• Flash Point: 41.9°C
• PSA: 42.37000
• Density: 1.003g/cm³
• LogP: 1.85950
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.06088618
• Heavy Atom Count: 9
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,4,4-Tetramethylthietan-3-one 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)C(S1)(C)C)C

Technology Process of 2,2,4,4-Tetramethylthietan-3-one

There total 8 articles about 2,2,4,4-Tetramethylthietan-3-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: 80.0%

→ 2,2,4,4-Tetramethylthietan-3-one (58721-01-0)

Guidance literature:

Reference yield: 67.0%

2,4-dibromo-2,4-dimethylpentan-3-one (17346-16-6) → 2,2,4,4-Tetramethylthietan-3-one (58721-01-0)

Guidance literature:

With sodium hydrogensulfide; In methanol; Ambient temperature;

DOI:10.1016/S0040-4020(01)82079-2

Reference yield: 33.0%

3,3,5,5-Tetramethyl-1,2-dithiolan-3-one (92350-67-9) → 2,2,4,4-Tetramethylthietan-3-one (58721-01-0)

Guidance literature:

With dimethyl diazomalonate; Irradiation; Var.: diphenyl diazomethane with cat. CuCl or 2 in CH2Cl2, room temp.;

DOI:10.1016/S0040-4039(00)98899-3

upstream raw materials:

3,3,5,5-Tetramethyl-1,2-dithiolan-3-one

2,4-dibromo-2,4-dimethylpentan-3-one

2,2,4,4-Tetramethylthietan-3-one Hydrazone

2,2,4,4-Tetramethyl-3-thietanone acetylhydrazone

Downstream raw materials:

2,2-dimethyl-4-isopropylidene-3-thietanone tosylhydrazone

(1-Isopropenyl-2-methyl-propenylsulfanylmethyl)-benzene

((2S,3R)-5-Isopropylidene-4,4-dimethyl-2-phenyl-tetrahydro-thiophen-3-yl)-phenyl-methanone

2-Benzhydrylidene-4-isopropylidene-5,5-dimethyl-[1,3]oxathiolane

Refernces

• 1、 -. "Method of producing L-aspartyl-D-alanine-N-(thiethane-3-yl)-amides". . . Retrieved 2008/06/13.
• 2、 Furuhata, Toshiya,Ando, Wataru. "NATURE OF THYOXYALLYL INTERMEDIATE IN THE DECOMPOSITION OF ALLENE EPISULFIDE AND PYRAZOLINE-4-THIONE". . p. 5301 - 5308. Retrieved 2007/10/02.