4-(But-3-YN-1-YL)morpholine

Base Information

• Chemical Name: 4-(But-3-YN-1-YL)morpholine
• CAS No.: 14731-39-6
• Molecular Formula: C8H13NO
• Molecular Weight: 139.197
• European Community (EC) Number: 818-711-7
• DSSTox Substance ID: DTXSID801311757
• Mol file: 14731-39-6.mol

Synonyms:4-(BUT-3-YN-1-YL)MORPHOLINE;14731-39-6;4-but-3-ynylmorpholine;4-(but-3-ynyl)morpholine;4-But-3-ynyl-morpholine;4-(3-BUTYN-1-YL)-MORPHOLINE;SCHEMBL311469;4-(3-Butyn-1-yl)morpholine;UQHZDUJZHRSWFK-UHFFFAOYSA-N;DTXSID801311757;AKOS010954636;AB73206;AT23227;FT-0708796;EN300-180347;F2147-2119;Z840363678

Chemical Property of 4-(But-3-YN-1-YL)morpholine

Chemical Property:

• Boiling Point: 63 °C(Press: 3 Torr)
• PKA: 6.40±0.10(Predicted)
• PSA: 12.47000
• Density: 0.973±0.06 g/cm3(Predicted)
• LogP: 0.27980
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 139.099714038
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

4-(but-3-yn-1-yl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCCN1CCOCC1

Technology Process of 4-(But-3-YN-1-YL)morpholine

There total 4 articles about 4-(But-3-YN-1-YL)morpholine 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: 85.0%

morpholine (110-91-8,99108-56-2) + 3-butyn-1-yl p-toluenesulfonate (23418-85-1) → 4-But-3-ynyl-morpholine (14731-39-6)

Guidance literature:

In ethanol; at 50 ℃; for 3h;

DOI:10.1021/ja075417k

Reference yield: 72.0%

morpholine (110-91-8,99108-56-2) + methanesulfonic acid but-3-ynyl ester (72486-09-0) → 4-But-3-ynyl-morpholine (14731-39-6)

Guidance literature:

In acetonitrile; for 12h; Reflux;

DOI:10.1016/j.bmcl.2017.03.051

Reference yield: 56.0%

methanesulfonic acid but-3-ynyl ester (72486-09-0) → 4-But-3-ynyl-morpholine (14731-39-6)

Guidance literature:

With morpholine; In diethyl ether; at 100 ℃; for 1h;

DOI:10.1002/anie.201307069

upstream raw materials:

morpholine

methanesulfonic acid but-3-ynyl ester

3-butyn-1-yl p-toluenesulfonate

Downstream raw materials:

4-[N-(3-chloro-4-fluorophenyl)amino]-6-fluoro-7-[(1E)-4-(4-morpholinyl)-1-butenyl]pyrido[3,2-d]pyrimidine

4-[4-(3-(piperidin-1-ylmethyl)phenyl)but-3-ynyl]morpholine

4-[4-(4-(piperidin-1-ylmethyl)phenyl)but-3-ynyl]morpholine

(2S,3S,4R)-(5E,7E)-3-(4-methoxybenzyloxy)-2,4,6-trimethyl-10-morpholinodeca-5,7-dien-1-ol