2-(4-Ethoxy-phenyl)-1-morpholin-4-yl-ethanethione

Base Information

• Chemical Name: 2-(4-Ethoxy-phenyl)-1-morpholin-4-yl-ethanethione
• CAS No.: 4947-83-5
• Molecular Formula: C14H19NO2S
• Molecular Weight: 265.376
• NSC Number: 25601
• DSSTox Substance ID: DTXSID80282362
• Nikkaji Number: J1.243.764A
• Wikidata: Q82016617
• Mol file: 4947-83-5.mol

Synonyms:4947-83-5;2-(4-Ethoxyphenyl)-1-morpholinoethanethione;2-(4-Ethoxy-phenyl)-1-morpholin-4-yl-ethanethione;NSC25601;Oprea1_459985;DTXSID80282362;NSC-25601;STL171336;AKOS000368881;2-(4-ethoxyphenyl)-1-(morpholin-4-yl)ethanethione;2-(4-ETHOXYPHENYL)-1-MORPHOLINO-1-ETHANETHIONE

Chemical Property of 2-(4-Ethoxy-phenyl)-1-morpholin-4-yl-ethanethione

Chemical Property:

• Vapor Pressure: 1.14E-06mmHg at 25°C
• Boiling Point: 401.9°Cat760mmHg
• Flash Point: 196.8°C
• Density: 1.159g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 265.11365002
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)CC(=S)N2CCOCC2

Technology Process of 2-(4-Ethoxy-phenyl)-1-morpholin-4-yl-ethanethione

There total 2 articles about 2-(4-Ethoxy-phenyl)-1-morpholin-4-yl-ethanethione 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: 47.0%

morpholine (110-91-8,99108-56-2) + 4'-ethoxyacetophenone (1676-63-7) → 4-[(4-ethoxy-phenyl)-thioacetyl]-morpholine (4947-83-5)

Guidance literature:

With sulfur; for 20h; Heating;

DOI:10.1023/A:1015868201847

Reference yield:

→ 4-[(4-ethoxy-phenyl)-thioacetyl]-morpholine (4947-83-5)

Guidance literature:

/BRN= 191918/;

DOI:10.1021/ja01215a058

Reference yield: 82.0%

4-[(4-ethoxy-phenyl)-thioacetyl]-morpholine (4947-83-5) + 1-chloro-1-(phenylhydrazono)propanone (18440-58-9,1017827-91-6) → 1-[5-(4-Ethoxy-benzyl)-5-morpholin-4-yl-4-phenyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl]-ethanone

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In benzene; at 25 ℃;

upstream raw materials:

morpholine

4'-ethoxyacetophenone

Downstream raw materials:

4-ethoxyphenylacetic acid

methyl [4-(ethoxyphenyl)-5-morpholino-3-oxo-3H-thiophen-2-ylidene]acetate

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