4-(Prop-2-yn-1-yl)morpholine

Base Information

• Chemical Name: 4-(Prop-2-yn-1-yl)morpholine
• CAS No.: 5799-76-8
• Molecular Formula: C7H11NO
• Molecular Weight: 125.17
• Hs Code.: 2934999090
• European Community (EC) Number: 611-607-0
• DSSTox Substance ID: DTXSID50902929
• Nikkaji Number: J1.869.339I
• ChEMBL ID: CHEMBL1190771
• Mol file: 5799-76-8.mol

Synonyms:4-(prop-2-yn-1-yl)morpholine;5799-76-8;4-prop-2-yn-1-ylmorpholine;4-prop-2-ynylmorpholine;1-Morpholino-2-propyne;4-(Prop-2-ynyl)morpholine;N-Propargylmorpholine;4-Propargylmorpholine;1-(N-MORPHOLINO)-2-PROPYNE;4-(2-propyn-1-yl)Morpholine;MFCD00510919;3-(4-morpholinyl)-1-propyne;4-Prop-2-ynyl-morpholine;morpholine, 4-(2-propynyl)-;N-propargyl morpholine;NoName_3505;4-(2-propynyl)morpholine;4-prop-2-ynyl morpholine;4-(1-propyn-3-yl)morpholine;SCHEMBL1245983;CHEMBL1190771;DTXSID50902929;4-(prop-2-yn-1-yl) morpholine;HMS1676A15;CS-D1616;BBL101918;STL555715;AKOS000590865;AB06365;AS-19740;SY024095;FT-0749482;P2170;EN300-70215;A869547;Z103717864;1-(N-morpholino)-2-propyne

Chemical Property of 4-(Prop-2-yn-1-yl)morpholine

Chemical Property:

• Vapor Pressure: 1.65mmHg at 25°C
• Refractive Index: 1.4730 to 1.4770
• Boiling Point: 186°C(lit.)
• PKA: 5.14±0.10(Predicted)
• PSA: 12.47000
• Density: 1.0009 g/cm3
• LogP: -0.11030
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.084063974
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

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

4-(Prop-2-yn-1-yl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCN1CCOCC1

Technology Process of 4-(Prop-2-yn-1-yl)morpholine

There total 12 articles about 4-(Prop-2-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: 98.0%

→ N-propargylmorpholine (5799-76-8)

Guidance literature:

Reference yield: 95.0%

morpholine (110-91-8,99108-56-2) + propargyl bromide (106-96-7) → N-propargylmorpholine (5799-76-8)

Guidance literature:

With sodium carbonate;

DOI:10.1016/0022-328X(83)80039-4

Reference yield: 78.0%

morpholine (110-91-8,99108-56-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + calcium carbide (75-20-7) → N-propargylmorpholine (5799-76-8)

Guidance literature:

With water; copper(l) chloride; In dimethyl sulfoxide; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.3184/174751917X14949427622099

upstream raw materials:

morpholine

propargyl bromide

formaldehyd

acetylene

Downstream raw materials:

C₁₄H₁₅ClN₄O

(4-{3-[3-bromo-5-(3-morpholin-4-yl-prop-1-ynyl)-phenyl]-prop-2-ynyloxy}-2-methyl-phenoxy)-acetic acid methyl ester

1,6-bis(morpholino)-2,4-hexadiyne

Refernces

• 1、 Huang, Guang,Solano, Claribel Murillo,Melendez, Joel,Yu-Alfonzo, Sabrina,Boonhok, Rachasak,Min, Hui,Miao, Jun,Chakrabarti, Debopam,Yuan, Yu. "Discovery of fast-acting dual-stage antimalarial agents by profiling pyridylvinylquinoline chemical space via copper catalyzed azide-alkyne cycloadditions". supporting information. . Retrieved 2020/10/13.
• 2、 -. "MONOCARBOXYLIC ACID TRANSPORTER 4 (MCT4) MODULATORS AND USES THEREOF". Paragraph 0248-0249. . Retrieved 2021/11/26.