Ethyl 2-chloro-3-[4-(2-methyl-2-phenylpropoxy)phenyl]propanoate

Base Information

• Chemical Name: Ethyl 2-chloro-3-[4-(2-methyl-2-phenylpropoxy)phenyl]propanoate
• CAS No.: 62516-91-0
• Molecular Formula: C₂₁H₂₅ClO₃
• Molecular Weight: 360.881
• DSSTox Substance ID: DTXSID80978112
• Nikkaji Number: J40.896D
• Wikidata: Q27154966
• Mol file: 62516-91-0.mol

Synonyms:AL 294;AL-294;ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropyloxy)phenyl)propionate

Chemical Property of Ethyl 2-chloro-3-[4-(2-methyl-2-phenylpropoxy)phenyl]propanoate

Chemical Property:

• Vapor Pressure: 3.94E-09mmHg at 25°C
• Boiling Point: 473.4°Cat760mmHg
• Flash Point: 161.9°C
• PSA: 35.53000
• Density: 1.12g/cm³
• LogP: 4.75620
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 360.1492223
• Heavy Atom Count: 25
• Complexity: 396

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CC=C(C=C1)OCC(C)(C)C2=CC=CC=C2)Cl

Technology Process of Ethyl 2-chloro-3-[4-(2-methyl-2-phenylpropoxy)phenyl]propanoate

There total 13 articles about Ethyl 2-chloro-3-[4-(2-methyl-2-phenylpropoxy)phenyl]propanoate 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:

4-(2-methyl-2-phenylpropyloxy)aniline (62517-30-0) + copper(I) oxide (1317-39-1,146060-06-2) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 2-chloro-3-[4-(2,2-dimethyl-2-phenylethyloxy)phenyl]propionate (62516-91-0,74401-63-1)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; acetone;

Reference yield:

4-(2-methyl-2-phenylpropyloxy)nitrobenzene (62517-29-7) → ethyl 2-chloro-3-[4-(2,2-dimethyl-2-phenylethyloxy)phenyl]propionate (62516-91-0,74401-63-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / benzene; ethanol / 760 Torr / Ambient temperature

2: 1.) 33percent NaNO₂/H₂O, conc. HCl, ethyl acrylate, 2.) Cu₂O / 1.) acetone, ice cooling, 2.) 40 deg C, 2 h

With copper(I) oxide; hydrogenchloride; water; hydrogen; ethyl acrylate; sodium nitrite; palladium on activated charcoal; In ethanol; benzene;

Reference yield:

2-methyl-2-phenyl-propan-1-ol (2173-69-5) → ethyl 2-chloro-3-[4-(2,2-dimethyl-2-phenylethyloxy)phenyl]propionate (62516-91-0,74401-63-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 72 percent / NaH / dimethylsulfoxide / 3 h / 60 °C

2: H₂ / 10percent Pd/C / benzene; ethanol / 760 Torr / Ambient temperature

3: 1.) 33percent NaNO₂/H₂O, conc. HCl, ethyl acrylate, 2.) Cu₂O / 1.) acetone, ice cooling, 2.) 40 deg C, 2 h

With copper(I) oxide; hydrogenchloride; water; hydrogen; sodium hydride; ethyl acrylate; sodium nitrite; palladium on activated charcoal; In ethanol; dimethyl sulfoxide; benzene;

upstream raw materials:

4-(2-methyl-2-phenylpropyloxy)aniline

ethyl acrylate

2-methyl-2-phenyl-propan-1-ol

4-(2-methyl-2-phenylpropyloxy)nitrobenzene

Downstream raw materials:

2-chloro-3-<4-(2-methyl-2-phenylpropyloxy)phenyl>propionic acid

2-(2-amino-2-carboxyethylthio)-3-<4-(2-methyl-2-phenylpropoxy)phenyl>propioate

ethyl 3-<4-(2-methyl-2-phenylpropoxy)phenyl>-2-thiocyanatopropionate

2-chloro-3-<4-(2-methyl-2-phenylpropyloxy)phenyl>propionamide