ChemicalBook--->CAS DataBase List--->101-29-1

101-29-1

101-29-1 Structure

101-29-1 Structure
IdentificationMore
[Name]

3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID
[CAS]

101-29-1
[Synonyms]

1,4-DIHYDRO-3,5-DIIODO-4-OXO-1-PYRIDINEACETIC ACID
3,5-DIIODO-4-HYDROXYPYRIDINE-N-ACETIC ACID
3,5-DIIODO-4-OXO-1(4H)-PYRIDINEACETIC ACID
(3,5-DIIODO-4-OXO-4H-PYRIDIN-1-YL)-ACETIC ACID
3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID
3,5-DIIODO-4-PYRIDONE-N-ACETIC ACID
TIMTEC-BB SBB005882
1,4-dihydro-3,5-diiodo-4-oxo-1-pyridylacetic acid
3,5-DIIODO-4-PYRIDONE-N-ACETICCID
[EINECS(EC#)]

202-932-5
[Molecular Formula]

C7H5I2NO3
[MDL Number]

MFCD00006185
[Molecular Weight]

404.93
[MOL File]

101-29-1.mol
Chemical PropertiesBack Directory
[Melting point ]

244°C (dec.)
[Boiling point ]

422.8±45.0 °C(Predicted)
[density ]

2.2000 (rough estimate)
[refractive index ]

1.7400 (estimate)
[pka]

3.60±0.10(Predicted)
[Water Solubility ]

2.787g/L(temperature not stated)
[Sensitive ]

Light Sensitive
[CAS DataBase Reference]

101-29-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Originator]

Iodopyracet,Winthrop
[Uses]

3,5-Diiodo-4-pyridone-1-acetic Acid is used in contrast media.
[Definition]

ChEBI: Diodone is a 4-pyridone in which the pyridone is iodo-substituted at C-3 and -5 and has a carboxymethyl substituent on nitrogen; used as a radiocontrast agent urography. It has a role as a radioopaque medium. It is a member of 4-pyridones, a monocarboxylic acid and an organoiodine compound.
[Manufacturing Process]

2 mol of pyridine are reacted with thionyl chloride to give 4-pyridyl-pyridinium chloride. The last one is transformed into 4-1H-pyridone by adding of water at 150°C. Then it is added to 1 mol of iodomonochloride (ICl) to give 3,5- diidopyridone. It is converted in 3.5-diiodo-4-pyridone-N-acetic acid by addition of chloroacetic acid and sodium hydrate. 1 mol of 3.5-diiodo-4- pyridone-N-acetic acid is dissolved in a solution of 1 mol of diethanolamine in 60 ml of water while heating. The solution is made up to 100 ml with water. After evaporating the solution and recrystallizing, the salt is obtained in the form of white crystals. MP: 153°C.
[Therapeutic Function]

Diagnostic aid
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID(101-29-1)MS
3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID(101-29-1)1HNMR
3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID(101-29-1)13CNMR
3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID(101-29-1)IR1
3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID(101-29-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,5-Diiodo-4-pyridone-1-acetic acid, 99%(101-29-1)
[Sigma Aldrich]

101-29-1(sigmaaldrich)
[TCI AMERICA]

3,5-Diiodo-4-pyridone-1-acetic Acid,>98.0%(T)(101-29-1)
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