Isochlortetracyclinehydrochloride

Base Information

• Chemical Name: Isochlortetracyclinehydrochloride
• CAS No.: 514-53-4
• Molecular Formula: C22H23 Cl N2 O8
• Molecular Weight: 478.88
• Mol file: 514-53-4.mol

Synonyms:2-Naphthalenecarboxamide,6-(7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl)-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-,[4S-[4a,4aa,6b(R*),8aa]]-;Phthalide, 3-[6-carbamoyl-8-(dimethylamino)-1,2,3,4,4a,5,8,8a-octahydro-4a,7-dihydroxy-4,5-dioxo-2-naphthyl]-4-chloro-7-hydroxy-3-methyl-(6CI,7CI,8CI); 7-Chloroisotetracycline; Isoaureomycin; Isochlortetracycline

Chemical Property of Isochlortetracyclinehydrochloride

Chemical Property:

• Vapor Pressure: 3.42E-23mmHg at 25°C
• Melting Point: 231-236oC (dec.)
• Boiling Point: 743.1°Cat760mmHg
• PKA: 4.50±1.00(Predicted)
• Flash Point: 403.2°C
• PSA: 167.46000
• Density: 1.61g/cm³
• LogP: 2.07020
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere

Purity/Quality:

98%Min ^*data from raw suppliers

Isochlortetracycline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: An inactive metabolite of Chlortetracycline (CTC). This compound is a contaminant of emerging concern (CECs). An inactive metabolite of Chlortetracycline (CTC).

Technology Process of Isochlortetracyclinehydrochloride

There total 2 articles about Isochlortetracyclinehydrochloride 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:

Chlortetracycline (57-62-5) → isochlortetracycline (514-53-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01139a047 DOI:10.1021/ja01568a050

Reference yield:

Chlortetracycline (57-62-5) → isochlortetracycline (514-53-4)

Guidance literature:

DOI:10.1021/ja01568a050

Reference yield:

isochlortetracycline (514-53-4) → (S)-4-((1S)-4-carbamoyl-2t-dimethylamino-3,6ξ-dihydroxy-5-oxo-cyclohex3-en-r-yl)-3-((S)-7-chloro-4-hydroxy-1-methyl-3-oxo-phthalan-1-yl)-butyric acid (3811-34-5,66749-14-2,66749-15-3)

Guidance literature:

With sodium hydroxide; sodium dithionite; α-aureomycinic acid;

DOI:10.1021/ja01139a538

upstream raw materials:

Chlortetracycline

Downstream raw materials:

(S)-4-((1S)-4-carbamoyl-2t-dimethylamino-3,6ξ-dihydroxy-5-oxo-cyclohex3-en-r-yl)-3-((S)-7-chloro-4-hydroxy-1-methyl-3-oxo-phthalan-1-yl)-butyric acid