Home Categories 3-Cyano-4-isopropoxybenzoic acid
BD1401232

3-Cyano-4-isopropoxybenzoic acid , 98% , 258273-31-3

CAS NO.:258273-31-3

Empirical Formula: C11H11NO3

Molecular Weight: 205.21

MDL number: MFCD09271830

Pack Size Price Stock Quantity
250mg RMB29.60 In Stock
1g RMB53.60 In Stock
5g RMB228.00 In Stock
10g RMB384.80 In Stock
25g RMB935.20 In Stock
100g RMB3072.80 In Stock
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Update time: 2022-07-08

PRODUCT Properties

Melting point: 149-153°
Boiling point: 371.4±27.0 °C(Predicted)
Density  1.23±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
pka 4.09±0.10(Predicted)
Appearance White to off-white Solid
InChI InChI=1S/C11H11NO3/c1-7(2)15-10-4-3-8(11(13)14)5-9(10)6-12/h3-5,7H,1-2H3,(H,13,14)
InChIKey FQGLEMDXDTZJMJ-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(OC(C)C)C(C#N)=C1

Description and Uses

3-Cyano-4-isopropoxybenzoic Acid is a useful reagent in the preparation of cyanoaryloxadiazolyl-substituted nitrogen heterocycles as S1P3-sparing agonists of sphingosine phosphate receptors S1P1 and S1P5 for treatment of multiple sclerosis and their pharmacokinetics and side effect profiles. Preparayion and SAR of biaryl oxadiazoles as S1P1 receptor agonists.

Safety

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338

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