4-Propargylthiomorpholine 1,1-Dioxide

Base Information

• Chemical Name: 4-Propargylthiomorpholine 1,1-Dioxide
• CAS No.: 10442-03-2
• Molecular Formula: C7H11 N O2 S
• Molecular Weight: 173.236
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70380442
• Nikkaji Number: J2.761.240G
• Wikidata: Q82170672
• Mol file: 10442-03-2.mol

Synonyms:10442-03-2;4-Propargylthiomorpholine 1,1-Dioxide;4-(Prop-2-yn-1-yl)thiomorpholine 1,1-dioxide;4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide;thiomorpholine, 4-(2-propyn-1-yl)-, 1,1-dioxide;4-propargylthiomorpholine-1,1-dioxide;4-prop-2-ynyl-thiomorpholine 1,1-dioxide;4-(prop-2-yn-1-yl)-1lambda6-thiomorpholine-1,1-dione;4-(2-Propynyl)thiomorpholine 1,1-Dioxide;4-Propargyl thiomorpholine-1,1-dioxide;Oprea1_537731;SCHEMBL896956;DTXSID70380442;CZBZIZOYSYHBNM-UHFFFAOYSA-N;4-(prop-2-yn-1-yl)-1$l^{6},4-thiomorpholine-1,1-dione;HMS1662C16;MFCD00085157;AKOS009158021;PS-4328;SB17767;4-propargyl-thiomorpholine-1,1-dioxide;N-propargyl-S,S-dioxo-4-thiapiperidine;4-(2-propynyl)-thiomorpholine 1,1-dioxide;4-PROPARGYLTHIOMORPHOLINE1,1-DIOXIDE;CS-0047848;FT-0619432;P1469;4-(Prop-2-yn-1-yl)thiomorpholine1,1-dioxide;EN300-380011;P10072;A800979;Thiomorpholine,4-(2-propyn-1-yl)-,1,1-dioxide;4-Propargyltetrahydro-4H-1,4-thiazine 1,1-dioxide;4-prop-2-ynyl-thiomorpholine 1,1-dioxide, AldrichCPR;Z804945660;4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dione

Chemical Property of 4-Propargylthiomorpholine 1,1-Dioxide

Chemical Property:

• Vapor Pressure: 0.000134mmHg at 25°C
• Melting Point: 114 °C
• Boiling Point: 333.7°Cat760mmHg
• PKA: 3.80±0.20(Predicted)
• Flash Point: 155.6°C
• PSA: 45.76000
• Density: 1.22g/cm³
• LogP: 0.36870
• Storage Temp.: 2-8°C
• Solubility.: almost transparency in hot Methanol
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.05104977
• Heavy Atom Count: 11
• Complexity: 253

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Propargylthiomorpholine 1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCN1CCS(=O)(=O)CC1

Technology Process of 4-Propargylthiomorpholine 1,1-Dioxide

There total 3 articles about 4-Propargylthiomorpholine 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: 71.0%

4-(prop-2-yn-1-yl)thiomorpholine (162936-38-1) → 4-propargylthiomorpholine-1,1-dioxide (10442-03-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 6h;

DOI:10.1080/10426507.2020.1854257

Reference yield:

Divinyl sulfone (77-77-0) + Propargylamine (2450-71-7) → 4-propargylthiomorpholine-1,1-dioxide (10442-03-2)

Guidance literature:

In ethanol;

Reference yield:

→ 4-propargylthiomorpholine-1,1-dioxide (10442-03-2)

Guidance literature:

In tetrahydrofuran; for 0.0833333h;

With potassium carbonate; In tetrahydrofuran; for 24h; Reflux; Inert atmosphere;

upstream raw materials:

Divinyl sulfone

Propargylamine

4-(prop-2-yn-1-yl)thiomorpholine

Refernces

• 1、 Sreerama, Rakesh,Narasimha Swamy,Ravinder,Vasudeva Reddy,Narsimha, Sirassu. "One-pot synthesis of sulfonyl-1H-1,2,3-triazolyl-thiomorpholine 1,1-dioxide derivatives and evaluation of their biological activity". . p. 455 - 460. Retrieved 2020/12/17.