CAS No.31842-01-0,ALPHA-METHYL-P-[1-OXO-2-ISOINDOLINYL]-BENZENEACETIC ACID Suppliers,MSDS download

Products Categories

Pharmaceutical (14)
Organic Chemicals (5)
Others (3)
Reagent (2)

Basic Information

Molecular Structure:
CAS No.:	31842-01-0
Name:	ALPHA-METHYL-P-[1-OXO-2-ISOINDOLINYL]-BENZENEACETIC ACID
Article Data:	25

Formula:	C₁₇H₁₅NO₃
Molecular Weight:	281.311
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;
EINECS:	250-833-0
Density:	1.308 g/cm³
Melting Point:	213-214°
Boiling Point:	511.3 °C at 760 mmHg
Flash Point:	263 °C
Hazard Symbols:	T
Risk Codes:	25-40
Safety:	22-36/37/39-45
PSA:	57.61000
LogP:	3.10010

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:24 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 31842-01-0

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.