2-Iodohippuric acid

Base Information

• Chemical Name: 2-Iodohippuric acid
• CAS No.: 147-58-0
• Molecular Formula: C9H8INO3
• Molecular Weight: 305.072
• Hs Code.: 2924 29 70
• European Community (EC) Number: 205-693-5
• UNII: 3Y68K91A3M
• DSSTox Substance ID: DTXSID8046161
• Nikkaji Number: J23.219J
• Wikipedia: Ortho-Iodohippuric_acid
• Wikidata: Q25323818
• Metabolomics Workbench ID: 155497
• ChEMBL ID: CHEMBL1681
• Mol file: 147-58-0.mol

Synonyms:Acid, Iodohippuric;I Hippuran;I OIH;I-Hippuran;I-OIH;Iodobenzoylglycine;Iodohippurate, Sodium;Iodohippuric Acid;o-Iodohippurate, Sodium;ortho Iodohippurate;ortho-Iodohippurate;Orthoiodohippurate;Radio Hippuran;Radio-Hippuran;RadioHippuran;Sodium Iodohippurate;Sodium o Iodohippurate;Sodium o-Iodohippurate

Chemical Property of 2-Iodohippuric acid

Chemical Property:

• Vapor Pressure: 4.67E-10mmHg at 25°C
• Melting Point: 170-172 °C(lit.)
• Refractive Index: 1.643
• Boiling Point: 480.9 °C at 760 mmHg
• Flash Point: 244.6 °C
• PSA: 66.40000
• Density: 1.871 g/cm³
• LogP: 1.49650
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 304.95489
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

98%,99%, ^*data from raw suppliers

o-Iodohippuric acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)O)I
• Recent ClinicalTrials: Severe Sepsis in Children - IMPRESS-C
• Uses: o-Iodohippuric Acid is used as a probe to measure renal function and clearance.

Technology Process of 2-Iodohippuric acid

There total 4 articles about 2-Iodohippuric 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-Iodobenzoyl chloride (609-67-6) + glycine (56-40-6,18875-39-3,25718-94-9) → ortho-iodohippuric acid (147-58-0)

Guidance literature:

With sodium hydroxide;

Reference yield:

2-Iodobenzoic acid (88-67-5) → ortho-iodohippuric acid (147-58-0)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / toluene / 4 h / Reflux

2: triethylamine / dichloromethane / 1 h / 0 °C

3: water; lithium hydroxide / methanol / 1 h

With thionyl chloride; water; triethylamine; lithium hydroxide; In methanol; dichloromethane; toluene;

DOI:10.1002/chem.201201232

Reference yield:

2-Iodobenzoyl chloride (609-67-6) → ortho-iodohippuric acid (147-58-0)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 1 h / 0 °C

2: water; lithium hydroxide / methanol / 1 h

With water; triethylamine; lithium hydroxide; In methanol; dichloromethane;

DOI:10.1002/chem.201201232

upstream raw materials:

2-Iodobenzoyl chloride

glycine

2-Iodobenzoic acid

N-(methoxycarbonylmethyl)-2-iodobenzamide

Downstream raw materials:

2-Iodobenzoic acid

glycine

[CuI(2,2'-bipyridine)2]I

Refernces