3-Methyl-1-pentyn-3-yl alpha-phenyl-4-morpholineacetate

Base Information

• Chemical Name: 3-Methyl-1-pentyn-3-yl alpha-phenyl-4-morpholineacetate
• CAS No.: 102043-50-5
• Molecular Formula: C₁₈H₂₃NO₃
• Molecular Weight: 301.386
• DSSTox Substance ID: DTXSID90907014
• Nikkaji Number: J70.129G

Synonyms:BRN 0297608;3-Methyl-1-pentyn-3-yl alpha-phenyl-4-morpholineacetate;alpha-Phenyl-4-morpholineacetic acid, 3-methyl-1-pentyn-3-yl ester;4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester;102043-50-5;4-27-00-00349 (Beilstein Handbook Reference);DTXSID90907014;LS-92370;3-Methylpent-1-yn-3-yl (morpholin-4-yl)(phenyl)acetate;alpha-Phenyl-4-morpholineacetic acid 1-methyl-1-ethynylpropyl ester

Chemical Property of 3-Methyl-1-pentyn-3-yl alpha-phenyl-4-morpholineacetate

Chemical Property:

• Vapor Pressure: 4.7E-07mmHg at 25°C
• Boiling Point: 413.7°C at 760 mmHg
• Flash Point: 204°C
• Density: 1.114g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 301.16779360
• Heavy Atom Count: 22
• Complexity: 415

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C#C)OC(=O)C(C1=CC=CC=C1)N2CCOCC2

Technology Process of 3-Methyl-1-pentyn-3-yl alpha-phenyl-4-morpholineacetate

There total 2 articles about 3-Methyl-1-pentyn-3-yl alpha-phenyl-4-morpholineacetate 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:

meparfynol (77-75-8) → morpholino-phenyl-acetic acid-(1-ethyl-1-methyl-prop-2-ynyl ester) (102043-50-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-aniline

2: benzene

With N,N-dimethyl-aniline; benzene;

Reference yield:

morpholine (110-91-8,99108-56-2) + chloro-phenyl-acetic acid-(1-ethyl-1-methyl-prop-2-ynyl ester) (100709-97-5) → morpholino-phenyl-acetic acid-(1-ethyl-1-methyl-prop-2-ynyl ester) (102043-50-5)

Guidance literature:

With benzene;

upstream raw materials:

morpholine

chloro-phenyl-acetic acid-(1-ethyl-1-methyl-prop-2-ynyl ester)

meparfynol

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