4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methoxyphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-

Base Information

• Chemical Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methoxyphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-
• CAS No.: 61834-10-4
• Molecular Formula: C21H26N2O6S
• Molecular Weight: 434.5059
• DSSTox Substance ID: DTXSID60977406

Synonyms:BRN 5395308;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methoxyphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-;61834-10-4;C21H26N2O6S;DTXSID60977406;C21-H26-N2-O6-S;LS-149865;6-[(Hydroxy{5-[(4-methoxyphenyl)methyl]oxolan-2-yl}methylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Property of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methoxyphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-

Chemical Property:

• Vapor Pressure: 1.88E-22mmHg at 25°C
• Boiling Point: 731.3°Cat760mmHg
• Flash Point: 396.1°C
• Density: 1.4g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 434.15115773
• Heavy Atom Count: 30
• Complexity: 708

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C3CCC(O3)CC4=CC=C(C=C4)OC)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3CCC(O3)CC4=CC=C(C=C4)OC)C(=O)O)C

Technology Process of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methoxyphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-

There total 1 articles about 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-((4-methoxyphenyl)methyl)-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))- 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:

5-(4-methoxy-benzyl)-tetrahydro-furan-2-carboxylic acid (61834-15-9) + 6-Aminopenicillanic Acid (551-16-6) → 6β-[(2Ξ)-ξ-5-(4-methoxy-benzyl)-tetrahydro-furan-2-carbonylamino]-penicillanic acid (61834-10-4)

Guidance literature:

Multistep reaction; (i) ClCO₂Me, Et₃N, acetone, (ii) /BRN= 15080/, aq. NaHCO₃;

DOI:10.1007/BF00758087

upstream raw materials:

5-(4-methoxy-benzyl)-tetrahydro-furan-2-carboxylic acid

6-Aminopenicillanic Acid

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