Thiomorpholine-4-carboxamide

Base Information

• Chemical Name: Thiomorpholine-4-carboxamide
• CAS No.: 6007-63-2
• Molecular Formula: C5H10 N2 O S
• Molecular Weight: 146.213
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30501095
• Wikidata: Q82353225
• Mol file: 6007-63-2.mol

Synonyms:thiomorpholine-4-carboxamide;6007-63-2;thiomorpholine-4-carboxylic acid amide;4-Carbamoylthiomorpholin;SCHEMBL983745;DTXSID30501095;JQORXVNSBSKOQE-UHFFFAOYSA-N

Chemical Property of Thiomorpholine-4-carboxamide

Chemical Property:

• Melting Point: 112.5-115.5 °C
• Boiling Point: 290.4±50.0 °C(Predicted)
• PKA: 14.52±0.20(Predicted)
• PSA: 72.62000
• Density: 1.266±0.06 g/cm3(Predicted)
• LogP: 0.56560
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.05138412
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCCN1C(=O)N

Technology Process of Thiomorpholine-4-carboxamide

There total 2 articles about Thiomorpholine-4-carboxamide 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: 89.0%

Thiomorpholin (123-90-0) + trimethylsilyl isocyanate (1118-02-1) → thiomorpholine-4-carboxylic acid amide (6007-63-2)

Guidance literature:

In isopropyl alcohol; at 20 ℃;

Reference yield:

potassium cyanate (590-28-3) + thiamorpholine hydrochloride (5967-90-8) → thiomorpholine-4-carboxylic acid amide (6007-63-2)

Guidance literature:

In methanol; for 2h; Heating;

DOI:10.1007/BF00906671

Reference yield: 65.0%

thiomorpholine-4-carboxylic acid amide (6007-63-2) + 2-[(2-bromo-pyridin-4-ylmethyl)-amino]-N-(2-methyl-2H-indazol-6-yl)-benzamide (474799-57-0) → thiomorpholine-4-carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide (886227-68-5)

Guidance literature:

With caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; N,N-dimethyl-formamide; at 110 ℃; for 4h;

upstream raw materials:

potassium cyanate

thiamorpholine hydrochloride

Thiomorpholin

trimethylsilyl isocyanate

Downstream raw materials:

thiomorpholine-4-carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide

Refernces