Iodomethyl sulbactam

Base Information

• Chemical Name: Iodomethyl sulbactam
• CAS No.: 76247-39-7
• Molecular Formula: C9H12INO5S
• Molecular Weight: 373.168
• European Community (EC) Number: 278-400-1
• DSSTox Substance ID: DTXSID50868394
• Mol file: 76247-39-7.mol

Synonyms:Iodomethyl sulbactam;76247-39-7;Iodomethyl S,S-dioxopenicillanate;DTXSID50868394;BDA24739;Iodomethylsulbactam (Iodomethyl (2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-Dioxide);AKOS015963283;SB49087;iodomethyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Iodomethyl 3,3-dimethyl-4,4,7-trioxo-4lambda~6~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Chemical Property of Iodomethyl sulbactam

Chemical Property:

• Vapor Pressure: 1.48E-11mmHg at 25°C
• Refractive Index: 1.631
• Boiling Point: 535.9 °C at 760 mmHg
• PKA: -3.73±0.60(Predicted)
• Flash Point: 277.9 °C
• PSA: 89.13000
• Density: 1.98 g/cm³
• LogP: 1.07480
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 372.94809
• Heavy Atom Count: 17
• Complexity: 480

Purity/Quality:

99% ^*data from raw suppliers

IodomethylS,S-dioxopenicillanate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)OCI)C

Technology Process of Iodomethyl sulbactam

There total 5 articles about Iodomethyl sulbactam 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: 95.7%

chloromethyl penicillanate 1,1-dioxide (76247-40-0) → iodomethyl penicillanate 1,1-dioxide (76247-39-7)

Guidance literature:

With sodium iodide; In acetone; at 20 ℃; for 16h;

Reference yield:

diethyl ether ethyl acetate + chloromethyl penicillanate 1,1-dioxide (76247-40-0) → iodomethyl penicillanate 1,1-dioxide (76247-39-7)

Guidance literature:

With sodium iodide; In acetone;

Reference yield:

sulbactum (68373-14-8,1217600-46-8) → iodomethyl penicillanate 1,1-dioxide (76247-39-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 3.5 h / 20 °C / Darkness

2: sodium iodide / acetone / 16 h / 20 °C

With pyridine; sodium iodide; In acetone;

upstream raw materials:

chloromethyl penicillanate 1,1-dioxide

sulbactum

sodium sulbactam

Downstream raw materials:

6'-(alpha-azidophenylacetamido)penicillanoyloxymethyl penicillanate 1,1-dioxide

{[6-(benzyloxy)adipoyl]oxy}methyl penicillanate sulfone

<<5-(benzyloxy)glutaryl>oxy>methyl penicillanate sulfone

<<3-(benzyloxy)-2,2-dimethylmalonyl>oxy>methyl penicillanate sulfone

Refernces

• 1、 -. "1,1-dioxopenicillanoyloxymethyl D-6-[alpha(methyleneamino)-phenyl-acetamidol]-penicillanate and a process for the preparation thereof". . . Retrieved 2008/06/13.
• 2、 -. "Crystalline benzenesulfonate salts of sultamicillin". . . Retrieved 2008/06/13.