Thietan-3-amine

Base Information

• Chemical Name: Thietan-3-amine
• CAS No.: 128861-76-7
• Molecular Formula: C3H7NS
• Molecular Weight: 89.1613
• Hs Code.: 2934999090
• European Community (EC) Number: 692-110-6
• DSSTox Substance ID: DTXSID80561987
• Wikidata: Q72508643
• Mol file: 128861-76-7.mol

Synonyms:thietan-3-amine;128861-76-7;3-THIETANAMINE;3-aminothietane;Thietan-3yl-Amine;3-Thietanamine HCl;THIETAN-3-YLAMINE;3-thietanamine hydrobromide;DTXSID80561987;GNWIATZLVXZUEL-UHFFFAOYSA-N;AKOS006351655;PB11400;CS-0183305;EN300-76059;G41290;F1907-0861

Chemical Property of Thietan-3-amine

Chemical Property:

• Boiling Point: 148.5 °C at 760 mmHg
• PKA: 7.00±0.20(Predicted)
• Flash Point: 43.6 °C
• PSA: 51.32000
• Density: 1.142 g/cm³
• LogP: 1.71890
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 89.02992040
• Heavy Atom Count: 5
• Complexity: 33.9

Purity/Quality:

97% ^*data from raw suppliers

3-Thietanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CS1)N
• Uses: 3-Thietanamine is an analog of cyclamate, an aritficial sweetener.

Technology Process of Thietan-3-amine

There total 5 articles about Thietan-3-amine 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: 87.0%

thietan-3-yl-azide (1418193-20-0) → 3-Thiacyclobutylamin (128861-76-7)

Guidance literature:

With methanol; magnesium oxide; at 0 ℃; for 4h; Reagent/catalyst; Temperature; Time; Solvent;

Reference yield: 4.0%

3-Thiacyclobutanon-oxim (128861-77-8) → 3-Thiacyclobutylamin (128861-76-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1002/ardp.19903230512

Reference yield:

3-pyridinium-thietane p-toluenesulfonate (1418193-22-2) → 3-Thiacyclobutylamin (128861-76-7) + monoammonium para-toluenesulfonate (4124-42-9)

Guidance literature:

With ammonia; In methanol; at 180 ℃; for 0.5h; under 11251.1 Torr; Temperature; Time; Pressure; Concentration; Overall yield = 800 mg; Autoclave;

upstream raw materials:

3-Thiacyclobutanon-oxim

thietan-3-ylcarbamic acid methyl ester

thietan-3-yl-azide

3-pyridinium-thietane p-toluenesulfonate

Downstream raw materials:

C₂₂H₁₉Cl₂F₃N₂OS

4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-ethyl-N-(thietan-3-yl)benzamide

4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4H-isoxazol-3-yl]-2-nitro-N-(thietan-3-yl)benzamide

2-methyl-N-(thietan-3-yl)-4-[(5S)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]benzamide