2,2-Dimethylpropanethial

Base Information

• Chemical Name: 2,2-Dimethylpropanethial
• CAS No.: 81193-96-6
• Molecular Formula: C5H10S
• Molecular Weight: 102.2
• DSSTox Substance ID: DTXSID90509395
• Nikkaji Number: J337.059C
• Wikidata: Q82366927
• Mol file: 81193-96-6.mol

Synonyms:2,2-dimethylpropanethial;2,2-dimethyl-propanethial;81193-96-6;SCHEMBL239048;DTXSID90509395;2-methyl-2-methylthiopropionaldehyde

Chemical Property of 2,2-Dimethylpropanethial

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 102.05032149
• Heavy Atom Count: 6
• Complexity: 49.4

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C=S

Technology Process of 2,2-Dimethylpropanethial

There total 3 articles about 2,2-Dimethylpropanethial 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:

phenacyl neopentyl sulfide (84850-25-9) → bis(2,2-dimethyl-1-propyl) disulfide (37552-63-9) + 2,2-dimethyl-propanethial (81193-96-6) + acetophenone (98-86-2) + phenacylacetophenone (495-71-6)

Guidance literature:

In benzene; for 3h; Irradiation;

DOI:10.1021/ja00271a030

Reference yield:

phenacyl neopentyl sulfide (84850-25-9) → 2,2-dimethyl-propanethial (81193-96-6) + 2,4,6-Tri-tert-butyl-[1,3,5]trithiane (84850-26-0) + 2,4,6-Tri-tert-butyl-[1,3,5]trithiane (84894-04-2) + acetophenone (98-86-2)

Guidance literature:

With 2,3-dimethyl-buta-1,3-diene; Yield given. Multistep reaction; 1.) benzene, photolysis, 2.) Ph₂O, 250 deg C;

DOI:10.1021/ja00344a061

Reference yield:

(2R,4S,5R)-2-tert-Butyl-1-methyl-4,5-diphenyl-[1,3]dithiolan-1-ium → 2,2-dimethyl-propanethial (81193-96-6) + 1-Methylmercapto-1.2-diphenyl-aethylen (4843-36-1)

Guidance literature:

With lithium diisopropyl amide; 0 deg C to 20 deg C;

upstream raw materials:

phenacyl neopentyl sulfide

Downstream raw materials:

5-tert-Butyl-3-(4-methoxy-phenyl)-2-phenyl-[1,4,2]oxathiazolidine

phenacyl neopentyl sulfide

N-((E)-3,3-Dimethyl-but-1-enyl)-N-phenyl-thioacetamide

5-tert-Butyl-3-(4-methoxy-phenyl)-[1,4,2]oxathiazole