4-Morpholinecarboxylic acid, 2-propynyl ester

Base Information

• Chemical Name: 4-Morpholinecarboxylic acid, 2-propynyl ester
• CAS No.: 114406-39-2
• Molecular Formula: C8H11NO3
• Molecular Weight: 169.18
• DSSTox Substance ID: DTXSID80445990
• Nikkaji Number: J2.092.166H
• Wikidata: Q82264547
• Mol file: 114406-39-2.mol

Synonyms:4-Morpholinecarboxylic acid, 2-propynyl ester;114406-39-2;SCHEMBL4817856;DTXSID80445990;Morpholine-4-carboxylic acid propargyl ester

Chemical Property of 4-Morpholinecarboxylic acid, 2-propynyl ester

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOC(=O)N1CCOCC1

Technology Process of 4-Morpholinecarboxylic acid, 2-propynyl ester

There total 2 articles about 4-Morpholinecarboxylic acid, 2-propynyl ester 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: 79.0%

morpholine (110-91-8,99108-56-2) + propargyl chloroformate (35718-08-2) → prop-2-yn-1-yl morpholine-4-carboxylate (114406-39-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jacs.0c01622

Reference yield: 59.0%

4-methyl-morpholine (109-02-4) + propargyl chloroformate (35718-08-2) → prop-2-yn-1-yl morpholine-4-carboxylate (114406-39-2)

Guidance literature:

4-methyl-morpholine; propargyl chloroformate; In chloroform; at -23 ℃;

In chloroform; for 1h; Further stages.; Heating;

DOI:10.1016/j.tetlet.2004.09.018

Reference yield: 95.0%

prop-2-yn-1-yl morpholine-4-carboxylate (114406-39-2) → morpholine (110-91-8,99108-56-2)

Guidance literature:

With benzyltriethylammonium tetrathiomolybdate; In acetonitrile; at 20 ℃; for 2.5h;

DOI:10.1016/j.tetlet.2004.09.018

upstream raw materials:

4-methyl-morpholine

propargyl chloroformate

morpholine

Downstream raw materials:

morpholine

Refernces

• 1、 Bhat, Ramakrishna G.,Ghosh, Yagnaseni,Chandrasekaran, Srinivasan. "A mild and selective method for N-dealkylation of tertiary amines". . p. 7983 - 7985. Retrieved 2007/10/03.