Dihydroaeruginoic acid

Base Information

• Chemical Name: Dihydroaeruginoic acid
• CAS No.: 49608-51-7
• Molecular Formula: C10H9NO3S
• Molecular Weight: 223.24836
• NSC Number: 128295
• DSSTox Substance ID: DTXSID201197921
• Nikkaji Number: J395.440D
• Metabolomics Workbench ID: 66881
• ChEMBL ID: CHEMBL8770
• Mol file: 49608-51-7.mol

Synonyms:2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid;2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid, (R)-isomer;dihydroaeruginoic acid;HTCA

Chemical Property of Dihydroaeruginoic acid

Chemical Property:

• Vapor Pressure: 6.1E-12mmHg at 25°C
• Boiling Point: 513.8°C at 760 mmHg
• Flash Point: 264.5°C
• PSA: 95.19000
• Density: 1.498g/cm³
• LogP: 0.77440
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO: Ethanol; Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 223.03031432
• Heavy Atom Count: 15
• Complexity: 292

Purity/Quality:

≥95% ^*data from raw suppliers

2-?(2-?Hydroxyphenyl)?-?4,?5-?dihydro-?1,?3-?thiazole-?4-?carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N=C(S1)C2=CC=CC=C2O)C(=O)O
• Uses: 2-?(2-?Hydroxyphenyl)?-?4,?5-?dihydro-?1,?3-?thiazole-?4-?carboxylic Acid is an intermediate in synthesizing Pyochelin I and Pyochelin II (P840365). They are two major siderophores produced and secreted by Pseudomonas aeruginosa PAO1 to assimilate iron. It also has triphenyltin (T809350) decomposition capacity.

Technology Process of Dihydroaeruginoic acid

There total 1 articles about Dihydroaeruginoic acid 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:

→ 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (49608-51-7)

Guidance literature:

2-Hydroxy-benzonitril, L-Cystein-hydrochlorid, 1) NaHCO3, sd. abs. Aethanol, 30 min., 2) Piperidin , pH 8-9, Siedetemp., 10-12 Std.;

Reference yield: 92.0%

methanol (67-56-1) + 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (49608-51-7) → Methyl 2-(2-hydroxyphenyl)-2-thiazoline-4-carboxylate (119437-72-8)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1021/jo00114a029

Reference yield:

N4-Acetylhomospermidine (119437-74-0) + 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (49608-51-7) → N4-Acetyl-N1,N8-bis<<2-(2-hydroxyphenyl)thiazolin-4-yl>carbonyl>homospermidine (119437-75-1)

Guidance literature:

With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide; Yield given. Multistep reaction; 1) DMF, r.t., 18 h, 2) 14 h;

DOI:10.1021/jm00125a018

Downstream raw materials:

N⁴-Acetyl-N¹,N⁸-bis<<2-(2-hydroxyphenyl)thiazolin-4-yl>carbonyl>homospermidine

Methyl 2-(2-hydroxyphenyl)-2-thiazoline-4-carboxylate

[Cu((2-(2'-hydroxyphenyl)-Δ(2)-thiazoline-4-carboxylic acid-H2)(methanol)]2

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