Thiomorpholin-3-ylmethanol

Base Information

• Chemical Name: Thiomorpholin-3-ylmethanol
• CAS No.: 58729-32-1
• Molecular Formula: C5H11NOS
• Molecular Weight: 133.21200
• European Community (EC) Number: 836-026-1
• DSSTox Substance ID: DTXSID70545332

Synonyms:thiomorpholin-3-ylmethanol;58729-32-1;(Thiomorpholin-3-yl)methanol;thiomorpholin-3-yl-methanol;SCHEMBL1693148;DTXSID70545332;AKOS006353379;AT25274;EN300-122579;Z1203733048

Chemical Property of Thiomorpholin-3-ylmethanol

Chemical Property:

• Boiling Point: 257.2±20.0 °C(Predicted)
• PSA: 57.56000
• Density: 1.105±0.06 g/cm3(Predicted)
• LogP: 0.01250
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 133.05613515
• Heavy Atom Count: 8
• Complexity: 69.4

Purity/Quality:

97% ^*data from raw suppliers

(Thiomorpholin-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCC(N1)CO
• Uses: (Thiomorpholin-3-yl)methanol is used in the preparation of heterocyclic compounds as modulators of Hb.

Technology Process of Thiomorpholin-3-ylmethanol

There total 1 articles about Thiomorpholin-3-ylmethanol 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:

→ 3-hydroxymethyltetrahydro-4H-1,4-thiazine (58729-32-1)

Guidance literature:

Thiomorpholinyl-(3)-carbonsaeure-aethylester, LiAlH4, Ae.;

DOI:10.1021/jo01039a025

Reference yield: 83.0%

benzyl bromide (100-39-0) + 3-hydroxymethyltetrahydro-4H-1,4-thiazine (58729-32-1) → 4-benzyl-3-hydroxymethyltetrahydro-4H-1,4-thiazine (124257-69-8)

Guidance literature:

With potassium carbonate; In butanone; for 6h; Heating;

Reference yield:

2-(((tert-butyldiphenylsilyl)oxy)methyl)benzoic acid (132286-88-5) + 3-hydroxymethyltetrahydro-4H-1,4-thiazine (58729-32-1) → [4-(2-[[(tert-butyldiphenylsilyl)oxy]methyl]benzoyl)thiomorpholin-3-yl]methanol

Guidance literature:

With oxalyl dichloride; triethylamine; In dichloromethane; at 0 - 40 ℃; for 5h;

Downstream raw materials:

4-benzyl-3-hydroxymethyltetrahydro-4H-1,4-thiazine

4-benzyl-3-chloromethyltetrahydro-4H-1,4-thiazine

3-(acetylamino)methyl-4-benzyltetrahydro-4H-1,4-thiazine

6-acetylamino-4-benzylhexahydro-1,4-thiazepine

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