Morpholine, 4-(3-thienyl)-

Base Information

• Chemical Name: Morpholine, 4-(3-thienyl)-
• CAS No.: 1006-76-4
• Molecular Formula: C8H11NOS
• Molecular Weight: 169.24400
• DSSTox Substance ID: DTXSID40476720
• Nikkaji Number: J1.891.354B
• Wikidata: Q82308449
• Mol file: 1006-76-4.mol

Synonyms:Morpholine, 4-(3-thienyl)-;4-thiophen-3-ylmorpholine;1006-76-4;4-(thiophen-3-yl)-Morpholine;4-(thiophen-3-yl)morpholine;DTXSID40476720

Chemical Property of Morpholine, 4-(3-thienyl)-

Chemical Property:

• Melting Point: 86-88 °C
• Boiling Point: 284.3±30.0 °C(Predicted)
• PKA: 4.82±0.20(Predicted)
• PSA: 40.71000
• Density: 1.189±0.06 g/cm3(Predicted)
• LogP: 1.64970
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 169.05613515
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CSC=C2

Technology Process of Morpholine, 4-(3-thienyl)-

There total 6 articles about Morpholine, 4-(3-thienyl)- 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: 99.0%

morpholine (110-91-8,99108-56-2) + 3-Bromothiophene (872-31-1) → 4-(thiophen-3-yl)morpholine (1006-76-4)

Guidance literature:

With (1,3-bis(2,6-diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene)Pd(cinnamyl, 3-phenylallyl)Cl; sodium t-butanolate; In neat (no solvent); at 110 ℃; for 12h; Inert atmosphere; Green chemistry;

DOI:10.1002/ejoc.201501616

Reference yield: 90.0%

morpholine (110-91-8,99108-56-2) + 3-chlorothiophene (17249-80-8) → 4-(thiophen-3-yl)morpholine (1006-76-4)

Guidance literature:

With C₅₀H₆₁Cl₂N₃Pd; potassium tert-butylate; In 1,4-dioxane; at 100 ℃; for 2h;

DOI:10.1021/acs.joc.8b01205

Reference yield: 88.0%

4-(benzoyloxy)morpholine (5765-65-1) + C12H23AlOS → 4-(thiophen-3-yl)morpholine (1006-76-4)

Guidance literature:

4-(benzoyloxy)morpholine; With copper(l) iodide; In tetrahydrofuran; at 20 ℃; for 0.166667h; Schlenk technique; Inert atmosphere;

C₁₂H₂₃AlOS; In tetrahydrofuran; at 20 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.5b00767

upstream raw materials:

morpholine

Tetrahydrothiophen-3-one

3-chlorothiophene

3-Bromothiophene