3,3-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide

Base Information

• Chemical Name: 3,3-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
• CAS No.: 144432-67-7
• Molecular Formula: C4H10 N2 O2 S
• Molecular Weight: 150.202
• DSSTox Substance ID: DTXSID00437413
• Nikkaji Number: J593.629B
• Wikidata: Q82252902
• Mol file: 144432-67-7.mol

Synonyms:144432-67-7;3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide;3,3-Dimethyl-[1,2,5]thiadiazolidine 1,1-dioxide;3,3-Dimethyl-1,2,5-thiadiazolidine1,1-dioxide;SCHEMBL1107596;DTXSID00437413;VDWQZPBIEYKQKX-UHFFFAOYSA-N;AKOS006238113;3,3-Dimethyl-1,2,5-thiadiazolidine-1,1-dioxide;1,2,5-Thiadiazolidine,3,3-dimethyl-,1,1-dioxide;3,3-Dimethyltetrahydro-1,2,5-thiadiazole 1,1-dioxide;3,3-DIMETHYL-[1,2,5]THIADIAZOLIDINE1,1-DIOXIDE;3,3-DIMETHYL-1??,2,5-THIADIAZOLIDINE-1,1-DIONE;3,3-Dimethyl-1lambda~6~,2,5-thiadiazolidine-1,1-dione

Chemical Property of 3,3-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide

Chemical Property:

• Boiling Point: 223.8±23.0 °C(Predicted)
• PKA: 12.77±0.40(Predicted)
• PSA: 66.58000
• Density: 1.194±0.06 g/cm3(Predicted)
• LogP: 0.94100
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 150.04629874
• Heavy Atom Count: 9
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

3,3-Dimethyl-1,2,5-thiadiazolidine1,1-dioxide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CNS(=O)(=O)N1)C

Technology Process of 3,3-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide

There total 2 articles about 3,3-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide 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: 97.0%

SULFAMIDE (7803-58-9) + 1,1-dimethylethylenediamine (811-93-8) → 3,3-dimethyl-1,2,5-thiadiazolidine-1,1-dioxide (144432-67-7)

Guidance literature:

With pyridine; for 16.5h; Heating / reflux;

Reference yield: 85.0%

1,1-dimethylethylenediamine (811-93-8) → 3,3-dimethyl-1,2,5-thiadiazolidine-1,1-dioxide (144432-67-7)

Guidance literature:

With SULFAMIDE; In pyridine; for 16h;

DOI:10.1021/jm00045a006

Reference yield: 96.0%

triphenylphosphine (603-35-0) + 3,3-dimethyl-1,2,5-thiadiazolidine-1,1-dioxide (144432-67-7) → 4,4-(dimethyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-triphenyl phosphonium

Guidance literature:

With diethylazodicarboxylate; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1021/jo00088a007

upstream raw materials:

1,1-dimethylethylenediamine

SULFAMIDE

Downstream raw materials:

C₁₀H₁₂FN₃O₄S

C₃₂H₃₅N₃O₅S₂

Refernces

• 1、 Seong, Jong Kim,Cho, Jung-Hyuck,Oh, Chang-Hyun. "Novel lβ-methylcarbapenems having cyclic sulfonamide moieties: Synthesis and evaluation of in-vitro biological activity - Part II". scheme or table. p. 528 - 532. Retrieved 2009/12/06.
• 2、 Kim, Seoung Jong,Jung, Myung-Ho,Yoo, Kyung Ho,Cho, Jung-Hyuck,Oh, Chang-Hyun. "Synthesis and antibacterial activities of novel oxazolidinones having cyclic sulfonamide moieties". scheme or table. p. 5815 - 5818. Retrieved 2009/11/30.