Sodium alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate

Base Information

• Chemical Name: Sodium alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate
• CAS No.: 93939-80-1
• Molecular Formula: C13H17 N O4 . Na
• Molecular Weight: 273.264
• European Community (EC) Number: 300-370-6,256-537-8
• Nikkaji Number: J333.647F
• Mol file: 93939-80-1.mol

Synonyms:EINECS 300-370-6;EINECS 256-537-8;Sodium alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate;50316-92-2;93939-80-1;Sodium (E)-alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate;C13H17NO4.Na;C13-H17-N-O4.Na;Sodium alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate;Sodium (E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate;2-Chloroethylethylsulfide;AKOS015963685;Sodium(E)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate;Sodium(Z)-alpha-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate;alpha-[[(E)-3-Methoxy-1-methyl-3-oxo-1-propenyl]amino]-1,4-cyclohexadiene-1-acetic acid sodium salt

Chemical Property of Sodium alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate

Chemical Property:

• Boiling Point: 410.7°Cat760mmHg
• Flash Point: 202.2°C
• PSA: 78.46000
• Density: g/cm³
• LogP: 0.43860
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 273.09770227
• Heavy Atom Count: 19
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+]
• Isomeric SMILES: C/C(=C\C(=O)OC)/NC(C1=CCC=CC1)C(=O)[O-].[Na+]

Technology Process of Sodium alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate

There total 1 articles about Sodium alpha-((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)cyclohexa-1,4-diene-1-acetate 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:

sodium methoxid + D-2-amino-2-(1,4-cyclohexadien-1-yl)acetic acid (20763-30-8) + acetoacetic acid methyl ester (105-45-3) → D-α-(1-methoxy-croton-3-ylamino)-α-1,4-cyclohexadienyl-acetic acid sodium salt (93939-80-1)

Guidance literature:

In methanol; dichloromethane; toluene;

Reference yield:

D-α-(1-methoxy-croton-3-ylamino)-α-1,4-cyclohexadienyl-acetic acid sodium salt (93939-80-1) → phenacyl 6-[D-2-amino-2-(1,4-cyclohexadienyl)acetamido]penicillanate

Guidance literature:

upstream raw materials:

D-2-amino-2-(1,4-cyclohexadien-1-yl)acetic acid

acetoacetic acid methyl ester

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