Methyl 6-amino-5-cyano-2-methyl-4-(4-propan-2-yloxyphenyl)-4H-pyran-3-carboxylate

Base Information

• Chemical Name: Methyl 6-amino-5-cyano-2-methyl-4-(4-propan-2-yloxyphenyl)-4H-pyran-3-carboxylate
• CAS No.: 6927-20-4
• Molecular Formula: C18H20N2O4
• Molecular Weight: 186.232
• DSSTox Substance ID: DTXSID60411794

Synonyms:Methyl 6-amino-5-cyano-2-methyl-4-(4-propan-2-yloxyphenyl)-4H-pyran-3-carboxylate;6927-20-4;Oprea1_616357;DTXSID60411794;AKOS003679728

Chemical Property of Methyl 6-amino-5-cyano-2-methyl-4-(4-propan-2-yloxyphenyl)-4H-pyran-3-carboxylate

Chemical Property:

• Vapor Pressure: 2.61E-11mmHg at 25°C
• Boiling Point: 529.8°Cat760mmHg
• Flash Point: 274.2°C
• Density: 1.22g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 328.14230712
• Heavy Atom Count: 24
• Complexity: 604

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)OC(C)C)C(=O)OC

Technology Process of Methyl 6-amino-5-cyano-2-methyl-4-(4-propan-2-yloxyphenyl)-4H-pyran-3-carboxylate

There total 5 articles about Methyl 6-amino-5-cyano-2-methyl-4-(4-propan-2-yloxyphenyl)-4H-pyran-3-carboxylate 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: 84.0%

10-phenylphenothiabismine 5,5-dioxide + ethanesulfonic acid (594-45-6) → phenyl ethanesulfonate (6927-20-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 4h; Heating;

DOI:10.3987/com-07-s(w)63

Reference yield: 66.0%

sodium ethanesulfinate (20035-08-9) + phenol (108-95-2,27073-41-2) → phenyl ethanesulfonate (6927-20-4)

Guidance literature:

In water; acetonitrile; at 20 ℃; for 2h; Electrochemical reaction;

DOI:10.1021/acs.joc.1c00260

Reference yield:

Ethanesulfonyl chloride (594-44-5) + phenol (108-95-2,27073-41-2) → phenyl ethanesulfonate (6927-20-4)

Guidance literature:

With pyridine; In chlorobenzene; at 29.9 ℃; Rate constant;

upstream raw materials:

Ethanesulfonyl chloride

phenol

ethyl iodide

ethanesulfonic acid

Downstream raw materials:

biphenyl

ethyl phenyl sulfone

phenol

ethanesulfonic acid-(4-chloro-phenyl ester)

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