Ethyl 3-[(4-aminophenyl)thio]benzeneacetate

Base Information

• Chemical Name: Ethyl 3-[(4-aminophenyl)thio]benzeneacetate
• CAS No.: 735273-42-4
• Molecular Formula: C₁₆H₁₇NO₂S
• Molecular Weight: 287.382
• DSSTox Substance ID: DTXSID801263047
• Mol file: 735273-42-4.mol

Synonyms:DTXSID801263047;Ethyl 3-[(4-aminophenyl)thio]benzeneacetate;735273-42-4

Chemical Property of Ethyl 3-[(4-aminophenyl)thio]benzeneacetate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 287.09799996
• Heavy Atom Count: 20
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC(=CC=C1)SC2=CC=C(C=C2)N

Technology Process of Ethyl 3-[(4-aminophenyl)thio]benzeneacetate

There total 1 articles about Ethyl 3-[(4-aminophenyl)thio]benzeneacetate 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: 73.0%

ethyl 2-(3-mercaptophenyl)acetate (123964-00-1) + p-aminoiodobenzene (540-37-4) → ethyl [3-(4-aminophenylsulphanyl)phenyl]acetate (735273-42-4)

Guidance literature:

With borohydride polymer supported Amberlite IRA₄₀₀ resin; bis(pyridine)nickel (II) bromide; In ethanol; for 3h; Heating / reflux;

Reference yield: 98.0%

ethyl [3-(4-aminophenylsulphanyl)phenyl]acetate (735273-42-4) → [3-(4-aminophenylsulphanyl)phenyl]acetic acid (365250-53-9)

Guidance literature:

ethyl [3-(4-aminophenylsulphanyl)phenyl]acetate; With sodium hydroxide; In tetrahydrofuran; ethanol; water; at 20 ℃; for 24h;

With hydrogenchloride; water; In tetrahydrofuran; ethanol;

Reference yield:

3-phenyl-propionaldehyde (104-53-0) + ethyl [3-(4-aminophenylsulphanyl)phenyl]acetate (735273-42-4) → ethyl {3-[4-(3-phenylpropylamino)phenylsulphanyl]phenyl}acetate

Guidance literature:

3-phenyl-propionaldehyde; ethyl [3-(4-aminophenylsulphanyl)phenyl]acetate; With molecular sieve; In tetrahydrofuran; ethanol; at 20 ℃; for 24h;

With sodium tetrahydroborate; In tetrahydrofuran; ethanol; for 24h;

upstream raw materials:

ethyl 2-(3-mercaptophenyl)acetate

p-aminoiodobenzene

Downstream raw materials:

[3-(4-aminophenylsulphanyl)phenyl]acetic acid