N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydriodide

Base Information

Chemical Name:N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydriodide
CAS No.:100988-63-4
Molecular Formula:C₁₃H₁₄N₃O₃S*I
Molecular Weight:419.243
Hs Code.:
European Community (EC) Number:423-260-0
UNII:G9113PML9Z
Wikidata:Q27278955
Mol file:100988-63-4.mol

Synonyms:100988-63-4;Pyridinium, 1-(((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, iodide (1:1);Pyridinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, iodide (1:1);N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydriodide;Q27278955;PYRIDINIUM, 1-(((6R,7R)-7-AMINO-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-, IODIDE;PYRIDINIUM, 1-((7-AMINO-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-, IODIDE, (6R-TRANS)-

Suppliers and Price of N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydriodide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
7-Amino-3-(1-pyridylmethyl)-3-cephem-4-carboxylicAcidHydroiodide
100mg
$ 1455.00

Total 6 raw suppliers

Chemical Property of N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydriodide

Chemical Property:

PSA：112.81000
LogP:-2.80260
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:DMSO (Slightly), Water (Slightly)
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:418.98006
Heavy Atom Count:21
Complexity:474

Purity/Quality:

99.9% ^*data from raw suppliers

7-Amino-3-(1-pyridylmethyl)-3-cephem-4-carboxylicAcidHydroiodide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)C[N+]3=CC=CC=C3.[I-]
Isomeric SMILES:C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C[N+]3=CC=CC=C3.[I-]
Uses 7-Amino-3-(1-pyridylmethyl)-3-cephem-4-carboxylic acid Hydroiodide, is an impurity of Ceftazidime (C244100). Ceftazidime impurity B.

Technology Process of N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydriodide

There total 5 articles about N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydriodide 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:

: 111390-00-2
(6R,7R)-Trimethylsilyl 7-[((Trimethylsilyl)oxy)carbonyl]-amino-3-acetoxymethylceph-3-em-4-carboxylate

: 100988-63-4,106937-15-9
3-<(1-pyridinio)methyl>cephem

Guidance literature:: Multi-step reaction with 2 steps

1: iodotrimethylsilane / CH₂Cl₂ / 1 h

2: 2.) MeOH / 1.) CH₂Cl₂, 90 min, 2.) from 0 to 5 deg C, 15 min

With methanol; trimethylsilyl iodide; In dichloromethane;
DOI:10.1021/jo00240a009

Reference yield:

: 31461-04-8
(6R,7R)-Trimethylsilyl 7-(Trimethylsilyl)amino-3-acetoxy methylceph-3-em-4-carboxylate

: 100988-63-4,106937-15-9
3-<(1-pyridinio)methyl>cephem

Guidance literature:: Multi-step reaction with 2 steps

1: iodotrimethylsilane (TMSI) / 1,1,2-trichloro-1,2,2-trifluoro-ethane / 2 h / 25 - 30 °C

2: 2.) MeOH / 1.) CH₂Cl₂, from 0 to 5 deg C, 3.5 h, 2.) from 0 to 5 deg C, 10 min

With methanol; trimethylsilyl iodide; In 1,1,2-Trichloro-1,2,2-trifluoroethane;
DOI:10.1021/jo00240a009

Reference yield:

: 110-86-1
pyridine

: 106134-67-2
(6R,7R)-trimethylsilyl 7-(trimethylsilyl)amino-3-iodomethylceph-3-em-4-carboxylate

: 100988-63-4,106937-15-9
3-<(1-pyridinio)methyl>cephem

Guidance literature:: With methanol; Yield given. Multistep reaction; 1.) CH₂Cl₂, from 0 to 5 deg C, 3.5 h, 2.) from 0 to 5 deg C, 10 min;
DOI:10.1021/jo00240a009