(1,3-Dithian-2-yl)acetaldehyde

Base Information

• Chemical Name: (1,3-Dithian-2-yl)acetaldehyde
• CAS No.: 57688-55-8
• Molecular Formula: C6H10OS2
• Molecular Weight: 162.277
• DSSTox Substance ID: DTXSID30503372
• Nikkaji Number: J868.401D
• Wikidata: Q82357130
• Mol file: 57688-55-8.mol

Synonyms:57688-55-8;1,3-dithian-2-ylacetaldehyde;DTXSID30503372;(1,3-Dithian-2-yl)acetaldehyde;2-([1,3]dithian-2-yl)-acetaldehyde

Chemical Property of (1,3-Dithian-2-yl)acetaldehyde

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 162.01730729
• Heavy Atom Count: 9
• Complexity: 89.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CSC(SC1)CC=O

Technology Process of (1,3-Dithian-2-yl)acetaldehyde

There total 2 articles about (1,3-Dithian-2-yl)acetaldehyde 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: 75.0%

1,3 dithiane (505-23-7) + tert-butyl vinyl ether (926-02-3) → [1,3]dithian-2-yl-acetaldehyde (57688-55-8)

Guidance literature:

With N-chloro-succinimide; copper dichloride; In 1,2-dichloro-ethane; at 20 ℃;

Reference yield: 41.0%

1.3-propanedithiol (109-80-8) + malonaldehydebis(dimethylacetal) (102-52-3) → malonaldehyde bis(propylene dithioacetal) (14947-51-4) + [1,3]dithian-2-yl-acetaldehyde (57688-55-8)

Guidance literature:

With boron trifluoride diethyl etherate; In chloroform; acetic acid; for 2h; Heating;

DOI:10.1016/0022-328X(88)83005-5

Reference yield: 90.0%

(R)-1-(4-benzyl-2-thioxothiazolidin-3-yl)propan-1-one (863324-53-2) + [1,3]dithian-2-yl-acetaldehyde (57688-55-8) → C19H25NO2S4 (1087342-90-2)

Guidance literature:

(R)-1-(4-benzyl-2-thioxothiazolidin-3-yl)propan-1-one; With titanium tetrachloride; In dichloromethane; at 0 ℃; for 0.25h; Inert atmosphere;

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 0.333333h; Inert atmosphere;

[1,3]dithian-2-yl-acetaldehyde; With 1-methyl-pyrrolidin-2-one; In dichloromethane; at -78 - 0 ℃; for 2.5h; Inert atmosphere;

DOI:10.1021/ja807127s

upstream raw materials:

1.3-propanedithiol

malonaldehydebis(dimethylacetal)

1,3 dithiane

tert-butyl vinyl ether

Downstream raw materials:

[2-[1,3]Dithian-2-yl-eth-(Z)-ylideneamino]-acetic acid 4-nitro-benzyl ester

(4S,5S)-4,5-Bis-benzyloxymethyl-2-[1,3]dithian-2-ylmethyl-[1,3]dioxolane

(1R,3R)-2-Benzyl-1-[1,3]dithian-2-ylmethyl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid methyl ester

(2S,3R,4S,5R)-2-(tert-butyldimethylsilanyloxymethyl)-3-(dimethylphenylsilanyl)-5-[1,3]dithian-2-ylmethyl-4-methyltetrahydrofuran