Product Name

  • Name

    ALPHA-METHYL-P-[1-OXO-2-ISOINDOLINYL]-BENZENEACETIC ACID

  • EINECS 250-833-0
  • CAS No. 31842-01-0
  • Article Data25
  • CAS DataBase
  • Density 1.308 g/cm3
  • Solubility
  • Melting Point 213-214°
  • Formula C17H15NO3
  • Boiling Point 511.3 °C at 760 mmHg
  • Molecular Weight 281.311
  • Flash Point 263 °C
  • Transport Information
  • Appearance
  • Safety 22-36/37/39-45
  • Risk Codes 25-40
  • Molecular Structure Molecular Structure of 31842-01-0 (ALPHA-METHYL-P-[1-OXO-2-ISOINDOLINYL]-BENZENEACETIC ACID)
  • Hazard Symbols ToxicT
  • Synonyms (?à)-Indoprofen;1-Oxo-2-[p-[(a-methyl)carboxymethyl]phenyl]isoindoline;2-[4-(1-Oxo-2-isoindolinyl)phenyl]propanoic acid;Bor-ind;Flosin;Flosint;Indoprofen;Isindone;K 4277;Praxis;Racemic Indoprofen;Reumofene;dl-a-[4-(1-Oxo-2-isoindolinyl)phenyl]propionicacid;p-(1-Oxo-2-isoindolinyl)hydratropic acid;
  • PSA 57.61000
  • LogP 3.10010

Indoprofen Specification

The IUPAC name of Indoprofen is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid. With the CAS registry number 31842-01-0, it is also named as 1-Oxo-2-(p-((alpha-methyl)carboxymethyl)phenyl)isoindoline. The product's categories are Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. It is a non-steroidal anti-inflammatory drug which increases the production of the survival of motor neuron protein.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 6.25; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 63.72; (8)ACD/KOC (pH 7.4): 1.01; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 77.7 cm3; (15)Molar Volume: 214.9 cm3; (16)Polarizability: 30.8×10-24 cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.308 g/cm3; (19)Flash Point: 263 °C; (20)Enthalpy of Vaporization: 82.36 kJ/mol; (21)Boiling Point: 511.3 °C at 760 mmHg; (22)Vapour Pressure: 2.82E-11 mmHg at 25°C.

Preparation of Indoprofen: It can be obtained by 2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-propionic acid ethyl ester. This reaction needs reagent KOH and solvent aq. ethanol at temperature of 70 °C. The reaction time is 3 hours. The yield is 83%.

Indoprofen can be obtained by 2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-propionic acid ethyl ester

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. And it has limited evidence of a carcinogenic effect. So people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C
2. InChI:InChI=1/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21) 
3. InChIKey:RJMIEHBSYVWVIN-UHFFFAOYAK

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 84mg/kg (84mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 291, 1973.
mouse LD50 intraperitoneal 375mg/kg (375mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA
Farmaco, Edizione Scientifica. Vol. 36, Pg. 1037, 1981.
mouse LD50 oral 700mg/kg (700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1100, 1973.
rat LD50 oral 84mg/kg (84mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1100, 1973.

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