Pentanoic acid, morpholide

Base Information

• Chemical Name: Pentanoic acid, morpholide
• CAS No.: 22342-18-3
• Molecular Formula: C9H17 N O2
• Molecular Weight: 171.239
• NSC Number: 195033
• DSSTox Substance ID: DTXSID80307781
• Nikkaji Number: J1.450.222J
• Wikidata: Q82055331
• Mol file: 22342-18-3.mol

Synonyms:Pentanoic acid, morpholide;22342-18-3;NSC195033;1-morpholinopentan-1-one;SCHEMBL253804;1-MORPHOLINO-1-PENTANONE;DTXSID80307781;AASPBTJOWALDEO-UHFFFAOYSA-N;1-(morpholin-4-yl)pentan-1-one;STK182235;AKOS003847094;NSC-195033

Chemical Property of Pentanoic acid, morpholide

Chemical Property:

• Vapor Pressure: 0.00128mmHg at 25°C
• Boiling Point: 298.3°Cat760mmHg
• Flash Point: 134.2°C
• Density: 1.011g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)N1CCOCC1

Technology Process of Pentanoic acid, morpholide

There total 2 articles about Pentanoic acid, morpholide 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: 67.0%

morpholine (110-91-8,99108-56-2) + pentanoic anhydride (2082-59-9) + benzyl bromide (100-39-0) → 1-morpholinopentan-1-one (22342-18-3) + benzyl pentanoate (10361-39-4)

Guidance literature:

morpholine; With tert-butylammonium hexafluorophosphate(V); In acetonitrile; at 20 ℃; Electrolysis; Green chemistry;

pentanoic anhydride; In acetonitrile; at 20 ℃; for 2h; Electrolysis; Green chemistry;

benzyl bromide; In acetonitrile; at 20 ℃; for 2h; Green chemistry;

DOI:10.1039/c9gc00707e

Reference yield:

4-morpholinocarbonyl chloride (15159-40-7) + n-butyllithium (109-72-8,29786-93-4) → 4-morpholinecarboxaldehyde (4394-85-8) + 1-morpholinopentan-1-one (22342-18-3) + 4,4’-carbonyl-dimorpholine (38952-62-4)

Guidance literature:

n-butyllithium; With CuCN; In diethyl ether; at -30 ℃; for 0.5h;

4-morpholinocarbonyl chloride; In tetrahydrofuran; at -30 - 0 ℃; for 2h;

DOI:10.1021/ol0487130

Reference yield: 80.0%

dimethyl(phenyl)silyl lithium (3839-31-4) + 1-morpholinopentan-1-one (22342-18-3) → 1-[dimethyl(phenyl)silyl]pentane-1-one (882882-36-2)

Guidance literature:

In tetrahydrofuran; at -78 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/ejoc.201403263

upstream raw materials:

4-morpholinocarbonyl chloride

n-butyllithium

morpholine

pentanoic anhydride

Downstream raw materials:

1-[dimethyl(phenyl)silyl]pentane-1-one

N-(2-(2-oxohexan-3-yl)phenyl)benzamide

1-phenylhept-1-yn-3-one

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