CID 9865150

Base Information

• Chemical Name: CID 9865150
• CAS No.: 132-98-9
• Molecular Formula: C16H17KN2O5S
• Molecular Weight: 388.486
• Hs Code.: 29411099
• Mol file: 132-98-9.mol

Synonyms:SCHEMBL41272;CHMFOCYVRGABAO-LQDWTQKMSA-N;s3650

Chemical Property of CID 9865150

Chemical Property:

• Appearance/Colour: Odorless white crystalline powder
• Vapor Pressure: 1.69E-19mmHg at 25°C
• Melting Point: 197-202 °C
• Boiling Point: 681.4 °C at 760 mmHg
• Flash Point: 365.9 °C
• PSA: 124.07000
• Density: 1.40 g/cm³
• LogP: -0.30880
• Storage Temp.: 2-8°C
• Solubility.: Freely soluble in water, practically insoluble in ethanol (96 per cent).
• Water Solubility.: Soluble in water, dimethyl sulfoxide, and methanol.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 389.05734934
• Heavy Atom Count: 25
• Complexity: 547

Purity/Quality:

98%min ^*data from raw suppliers

Penicillin V potassium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-42/43
• Safety Statements: 22-26-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.[K]
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.[K]
• Uses: Penicillin V Potassium bactericidal against penicillin-susceptible microorganisms during the stage of active multiplication. It inhibits biosynthesis of cell-wall mucopeptide. It is used to treat or prevent infections that are proven or strongly suspected to be caused by bacteria. Penicillin antibacterial.
• Therapeutic Function: Antibacterial

Technology Process of CID 9865150

There total 4 articles about CID 9865150 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%

potassium 2-ethylhexanoate + penicilin V (87-08-1) → penicillin V potassium (132-98-9)

Guidance literature:

In butan-1-ol;

Reference yield: 80.0%

6-Aminopenicillanic Acid (551-16-6) + Phenoxyacetyl chloride (701-99-5) → penicillin V potassium (132-98-9)

Guidance literature:

6-Aminopenicillanic Acid; Phenoxyacetyl chloride; With sodium hydrogencarbonate; In water; acetone; at 10 - 15 ℃; for 0.333333h;

With potassium 2-ethylhexanoate; In butan-1-ol;

DOI:10.1016/j.cclet.2014.09.008

Reference yield:

6-Aminopenicillanic Acid (551-16-6) → penicillin V potassium (132-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydrogencarbonate / water; acetone / 0.35 h / 10 - 15 °C

1.2: pH 2

2.1: butan-1-ol

With sodium hydrogencarbonate; In water; acetone; butan-1-ol;

upstream raw materials:

6-Aminopenicillanic Acid

penicilin V

Phenoxyacetyl chloride

Downstream raw materials:

(5R)-3,3-dimethyl-7-oxo-6t-(2-phenoxy-acetylamino)-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid S-phenyl ester

(2S,5R,6R)-benzyl-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

6β-(2-phenoxy-acetylamino)-penicillanic acid 2-methylsulfanyl-ethyl ester

(5R)-3,3-dimethyl-7-oxo-6t-(2-phenoxy-acetylamino)-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid S-butyl ester

Refernces

• 1、 -. "CEPHALOSPORIN DERIVATIVES AND METHODS OF USE". . . Retrieved 2014/05/24.