alpha-Ethoxyphenylacetic acid ethyl ester

Base Information

• Chemical Name: alpha-Ethoxyphenylacetic acid ethyl ester
• CAS No.: 79309-63-0
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• NSC Number: 117457
• DSSTox Substance ID: DTXSID40297710
• Nikkaji Number: J405.827E
• Mol file: 79309-63-0.mol

Synonyms:79309-63-0;NSC117457;SCHEMBL16672673;DTXSID40297710;NSC-117457

Chemical Property of alpha-Ethoxyphenylacetic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.00184mmHg at 25°C
• Boiling Point: 292.4°Cat760mmHg
• Flash Point: 101.8°C
• Density: 1.047g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of alpha-Ethoxyphenylacetic acid ethyl ester

There total 15 articles about alpha-Ethoxyphenylacetic acid ethyl ester 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: 100.0%

ethyl 2-phenyldiazoacetate (22065-57-2) + ethanol (64-17-5) → ethyl α-ethoxy-α-phenylacetate (79309-63-0)

Guidance literature:

With silver hexafluoroantimonate; C₂₉H₃₃AuClN₃O₂; In chloroform-d1; at 20 ℃;

DOI:10.1021/acs.inorgchem.5b01524

Reference yield: 88.0%

ethanol (64-17-5) + 4-((E)-2-Methanesulfonyl-2-methylsulfanyl-vinyl)-1,2-dimethoxy-benzene (83831-68-9) → ethyl α-ethoxy-α-phenylacetate (79309-63-0)

Guidance literature:

With sulfuric acid; for 18h; Heating;

DOI:10.1021/jo00148a038

Reference yield: 67.0%

ethyl trimethylsilyl ether (1825-62-3) + 1,3-dichloro-2-isocyanobenzene (6697-95-6) + benzaldehyde (100-52-7) → ethyl α-ethoxy-α-phenylacetate (79309-63-0)

Guidance literature:

ethyl trimethylsilyl ether; 1,3-dichloro-2-isocyanobenzene; benzaldehyde; trifluorormethanesulfonic acid; In toluene; at 30 ℃; for 2h;

With hydrogenchloride; In ethanol; toluene; at 30 ℃; for 24h; Further stages.;

DOI:10.1021/ja073286h

upstream raw materials:

sodium ethanolate

ethyl 2-phenyl-2-bromoacetate

3-phenyl-2,2-oxiranedicarbonitrile

ethanol

Downstream raw materials:

ethoxy-phenyl-acetic acid amide

2-ethoxy-2-phenylethanol

phenyl (2-phenyl-2-ethoxy ethyl)sulphone

2-phenyl-2-ethoxyethyl-p-toluene sulphonate