7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride

Base Information

• Chemical Name: 7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride
• CAS No.: 107648-80-6
• Molecular Formula: C₁₉H₂₅N₆O₅S₂*ClH*Cl
• Molecular Weight: 553.491
• Hs Code.: 2941905990
• European Community (EC) Number: 827-945-9
• Mol file: 107648-80-6.mol

Synonyms:Axepim;cefepime dihydrochloride;107648-80-6;BMY-28142 dihydrochloride;C19H25N6O5S2.ClH.Cl;C19-H25-N6-O5-S2.Cl-H.Cl;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride;BCP22477;FT-0700020;Cefepime 2HCl;BMY 28142 2HCl;BMY-28142 2HCl;BMY28142 2HCl

Chemical Property of 7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride

Chemical Property:

• Melting Point: 150oC (dec.)
• PSA: 203.58000
• LogP: 1.19290
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 552.0783157
• Heavy Atom Count: 34
• Complexity: 874

Purity/Quality:

99% ^*data from raw suppliers

CefepimeDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.Cl.[Cl-]

Technology Process of 7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride

There total 3 articles about 7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride 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: 80.0%

(benzothiazol-2-yl)-2-(2-aminothiazol-4-yl)-Z-2-methoxyimino-thioacetate (959246-33-4) + 1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium chloride hydrochloride (113703-50-7) → 1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-pyrrolidinium chloride hydrochloride (107648-80-6)

Guidance literature:

1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium chloride hydrochloride; With triethylamine; In water; at 0 - 5 ℃; pH=6 - 7;

(benzothiazol-2-yl)-2-(2-aminothiazol-4-yl)-Z-2-methoxyimino-thioacetate; In water; acetone; at 5 - 25 ℃; pH=6.5 - 7.5;

Reference yield:

(benzothiazol-2-yl)-2-(2-aminothiazol-4-yl)-Z-2-methoxyimino-thioacetate (959246-33-4) + 1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium chloride (103121-85-3) → 1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-pyrrolidinium chloride hydrochloride (107648-80-6)

Guidance literature:

1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium chloride; With triethylamine; In water; at 5 - 10 ℃; pH=7 - 8;

(benzothiazol-2-yl)-2-(2-aminothiazol-4-yl)-Z-2-methoxyimino-thioacetate; In water; isopropyl alcohol; at 5 - 25 ℃; pH=6.5 - 7.7; Reagent/catalyst; pH-value; Solvent; Temperature; Time;

Reference yield:

(benzothiazol-2-yl)-2-(2-aminothiazol-4-yl)-Z-2-methoxyimino-thioacetate (959246-33-4) + 1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium iodide (111390-01-3) → 1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-pyrrolidinium chloride hydrochloride (107648-80-6)

Guidance literature:

1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium iodide; With triethylamine; In water; at 5 - 10 ℃; pH=7 - 8;

(benzothiazol-2-yl)-2-(2-aminothiazol-4-yl)-Z-2-methoxyimino-thioacetate; In water; isopropyl alcohol; at 5 - 25 ℃; pH=6.5 - 7.7;

With hydrogenchloride; In water; at 25 - 35 ℃; Reagent/catalyst; pH-value; Temperature; Solvent; Time;

upstream raw materials:

(benzothiazol-2-yl)-2-(2-aminothiazol-4-yl)-Z-2-methoxyimino-thioacetate

1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium chloride

1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium iodide

1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium chloride hydrochloride

Refernces