Lithium 1,3-dithian-2-ide

Base Information

• Chemical Name: Lithium 1,3-dithian-2-ide
• CAS No.: 36049-90-8
• Molecular Formula: C4H7 Li S2
• Molecular Weight: 126.173
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90448679
• Mol file: 36049-90-8.mol

Synonyms:2-Lithio-1,3-dithiane;36049-90-8;Lithium 1,3-dithian-2-ide;SCHEMBL368128;Lithium, 1,3-dithian-2-yl-;DTXSID90448679

Chemical Property of Lithium 1,3-dithian-2-ide

Chemical Property:

• PSA: 50.60000
• LogP: 1.97580
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.01492100
• Heavy Atom Count: 7
• Complexity: 36.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].C1CS[CH-]SC1

Technology Process of Lithium 1,3-dithian-2-ide

There total 3 articles about Lithium 1,3-dithian-2-ide 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: 100.0%

1,3 dithiane (505-23-7) → 2-lithio-1,3-dithiane (36049-90-8)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at -20 ℃;

DOI:10.1016/S0040-4039(00)98343-6

Reference yield:

1,3 dithiane (505-23-7) + n-butyllithium (109-72-8,29786-93-4) → 2-lithio-1,3-dithiane (36049-90-8)

Guidance literature:

In tetrahydrofuran; at -20 ℃; for 2h;

DOI:10.1021/ja026915q

Reference yield:

→ 2-lithio-1,3-dithiane (36049-90-8)

Guidance literature:

upstream raw materials:

1,3 dithiane

n-butyllithium

Downstream raw materials:

3-methyl-4-nonanone

2-benzyl-1-[1,3]dithian-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline

4-([1,3]dithian-2-yl-p-tolyl-methyl)-morpholine

4-[(4-chloro-phenyl)-[1,3]dithian-2-yl-methyl]-morpholine

Refernces

NEW SUBSTITUTION REACTIONS ON INDOLE PROMOTED BY THE Cr(CO)3 UNIT

10.1016/S0022-328X(00)93987-1

The research investigates new substitution reactions on indole promoted by the Cr(CO)3 unit. The study found that indole derivatives form complexes with the Cr(CO)3 unit at the 6-membered ring, and reactive carbon nucleophiles preferentially add to the coordinated ring at C-4 and, in some cases, C-7. Oxidation of intermediate cyclohexadienyl anionic complexes yields substituted indoles in good yield. The regioselectivity of the substitution is influenced by electronic and steric factors, with electronic factors strongly directing attack to C-4 and C-7. The chemicals that played a role in the research include indole derivatives, Cr(CO)3, reactive carbon nucleophiles such as ester enolates, cyano-stabilized carbanions, and 2-lithio-1,3-dithiane, as well as oxidizing agents like iodine.