Lenampicillin hydrochloride

Base Information

• Chemical Name: Lenampicillin hydrochloride
• CAS No.: 80734-02-7
• Deprecated CAS: 87080-37-3
• Molecular Formula: C21H23N3O7S•ClH
• Molecular Weight: 497.99
• UNII: 6U90E2WB40
• DSSTox Substance ID: DTXSID0057835
• Wikidata: Q27265536
• ChEMBL ID: CHEMBL3561563
• Mol file: 80734-02-7.mol

Synonyms:KBT 1585;KBT-1585;lenampicillin

Chemical Property of Lenampicillin hydrochloride

Chemical Property:

• Vapor Pressure: 7.54E-21mmHg at 25°C
• Melting Point: 145° (dec)
• Boiling Point: 717.4°C at 760 mmHg
• Flash Point: 387.7°C
• PSA: 170.38000
• LogP: 1.86060
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 497.1023490
• Heavy Atom Count: 33
• Complexity: 868

Purity/Quality:

97% ^*data from raw suppliers

Lenampicillin hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC(=O)O1)COC(=O)C2C(SC3N2C(=O)C3NC(=O)C(C4=CC=CC=C4)N)(C)C.Cl
• Isomeric SMILES: CC1=C(OC(=O)O1)COC(=O)[C@H]2C(S[C@H]3N2C(=O)[C@H]3NC(=O)[C@@H](C4=CC=CC=C4)N)(C)C.Cl
• Uses: Lenampicillin is an oral ampicillin prodrug. Antibiotic used in the treatment of respiratory tract infections and urinary tract infections.

Technology Process of Lenampicillin hydrochloride

There total 4 articles about Lenampicillin 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: 76.0%

(5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl 6β-aminopenicillanate p-toluenesulfonate (80715-31-7) + 2-(R)-2-phenyl-2-aminoacetyl chloride hydrochloride (40966-78-7,5321-31-3) → ampicillin (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl ester hydrochloride (80734-02-7)

Guidance literature:

With ammonium bicarbonate; triethylamine; In dichloromethane; at 7 - 10 ℃; for 0.833333h;

DOI:10.1248/cpb.32.4316

Reference yield: 60.0%

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-acetylamino)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid 5-methyl-2-oxo-[1,3]dioxol-4-ylmethyl ester → ampicillin (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl ester hydrochloride (80734-02-7)

Guidance literature:

With hydrogenchloride; In acetonitrile; at 0 - 5 ℃; for 0.5h; pH=2.0;

DOI:10.1248/cpb.32.2241

Reference yield:

4,5-Dimethyl-1,3-dioxole-2-one (37830-90-3) → ampicillin (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl ester hydrochloride (80734-02-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 80.8 percent / sodium bicarbonate, α,α'-azobisisobutyronitrile, Br2 / CCl4 / 1.08 h / 70 °C

2: 1.) potassium bicarbonate / 1.) DMF, 0 deg C, 3 h; 2.) 0 deg C, 3 h

3: 60 percent / 1N HCl / acetonitrile / 0.5 h / 0 - 5 °C / pH=2.0

With hydrogenchloride; azobisisobutyronitrile; bromine; sodium hydrogencarbonate; potassium hydrogencarbonate; In tetrachloromethane; acetonitrile;

DOI:10.1248/cpb.32.2241

upstream raw materials:

(5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl 6β-aminopenicillanate p-toluenesulfonate

2-(R)-2-phenyl-2-aminoacetyl chloride hydrochloride

4,5-Dimethyl-1,3-dioxole-2-one

4-bromomethyl-1,3-dioxa-5-methylcyclopentene-2-one

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