76247-39-7

Basic information

• Product Name: iodomethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide
• Synonyms: iodomethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide;IODOMETHYL PENICILLANATE 1,1-DIOXIDE;IODOPENICILLANIC ACID-1,1-DIOXIDE;(2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4-thia(VI)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid iodomethyl ester;(2S,5R)-iodoMethyl 3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide;Iodomethyl S,S-dioxopenicillanate
• CAS NO: 76247-39-7
• Molecular Formula: C₉H₁₂INO₅S
• Molecular Weight: 373.16475
• EINECS: 278-400-1
• Mol File: 76247-39-7.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 535.9 °C at 760 mmHg
• Flash Point: 277.9 °C
• Appearance: /
• Density: 1.98 g/cm³
• Vapor Pressure: 1.48E-11mmHg at 25°C
• Refractive Index: 1.631
• Storage Temp.: 2-8°C
• PKA: -3.73±0.60(Predicted)
• CAS DataBase Reference: iodomethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide(CAS DataBase Reference)
• NIST Chemistry Reference: iodomethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide(76247-39-7)
• EPA Substance Registry System: iodomethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide(76247-39-7)

Safety Data

• Hazardous Substances Data: 76247-39-7(Hazardous Substances Data)

Usage

General Description

Iodomethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide is a complex chemical compound with a long and complex name. It is a derivative of a bicyclic compound and contains a carboxylate group as well as an iodomethyl group. The presence of the 4,4-dioxide group suggests that it contains an oxygen atom. iodomethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide may have potential pharmaceutical or medical applications due to its structure, but further research would be needed to understand its specific properties and potential uses.

InChI:InChI=1/C9H12INO5S/c1-9(2)7(8(13)16-4-10)11-5(12)3-6(11)17(9,14)15/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1

Upstream product

• 76247-40-0 chloromethyl penicillanate 1,1-dioxide 
• 68373-14-8 sulbactum 
• 69388-84-7 sodium sulbactam 

Downstream Products

• 87343-28-0 <<3-(benzyloxy)malonyl>oxy>methyl penicillanate sulfone 
• 87343-27-9 <<3-(benzyloxy)-2,2-dimethylmalonyl>oxy>methyl penicillanate sulfone 
• 87343-26-8 <<5-(benzyloxy)glutaryl>oxy>methyl penicillanate sulfone 
• 87343-31-5 {[6-(benzyloxy)adipoyl]oxy}methyl penicillanate sulfone 
• 76497-13-7 sultamicillin T 
• 84519-04-0 6'-(alpha-azidophenylacetamido)penicillanoyloxymethyl penicillanate 1,1-dioxide 

Relevant articles and documents

Synthesis method and application of amoxicillin and sulbactam hybrid molecule

The invention discloses a synthesis method and application of an amoxicillin and sulbactam hybrid molecule, and belongs to the technical field of organic synthesis. According to the method, chlorobromomethane is used as a chloromethyl reagent of sulbactam acid, so that the yield of a key intermediate sulbactam chloromethyl ester is effectively increased, and sulbactam chloromethyl ester and (Z)-6-(2-(4-hydroxyphenyl)-2-((4-methoxy-4-oxobutyl-2-ene-2-yl) amino) acetamido)-3, 3'-dihydroxyl-7-oxo-4-sulfo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid as a raw material to carry out condensation reaction, and a protecting group is removed by using strong acid, so as to prepare the amoxicillin and sulbactam hybrid molecule. The synthesis method has the advantages of mild reaction conditions, cheap and easily available raw materials, low preparation cost, good safety, simple and feasible process and high product yield.

Antibacterial 6'-(2-amino-2-[4-acyloxyphenyl]acetamido)penicillanoyloxymethyl penicillanate 1,1-dioxide compounds

6-(2-Amino-2-[4-acyloxyphenyl]acetamido)penicillanoyloxymethyl esters of penicillanic acid 1,1-dioxide are useful as antibacterial agents. Derivatives of the aforesaid antibacterial agents which have an amino protecting group on the amino function in the 2-amino-2-(4-acyloxyphenyl)acetamido side chain are useful intermediates to the antibacterial agents themselves.

1,1-Alkanediol dicarboxylate linked antibacterial agents

Useful antibacterial agents in which a penicillin and/or a beta-lactamase inhibitor are linked via 1,1-alkanediol dicarboxylates are of the formula STR1 where A is the residue of certain dicarboxyic acids, R3 is H or (C1 -C3), n is zero or 1 such that when n is zero R is P or B and R1 is the residue of certain esters, H or a salt thereof; and when n is 1, one of R and R1 is P and the other is B, and P is STR2 where R2 is H or certain acyl groups, and B is the residue of a beta-lactamase inhibiting carboxylic acid; a method for their use, pharmaceutical compositions thereof and intermediates useful in their production.