Ketoprofen impurity 2

Name: Ketoprofen impurity 2
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 5689-33-8
Cat. No. CS-0128988
Purity≥95%
MDL No.MFCD08234486

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 5689-33-8

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General Information

CAS No. 5689-33-8
Cat. No. CS-0128988
Purity ≥95%
MDL No. MFCD08234486
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇NO₂
Molecular Weight 161.16
Synonym(s) None
SMILES O=C(O)C1=CC=CC(CC#N)=C1

Application

3-(Cyanomethyl)benzoic acid serves as a versatile building block for synthesizing bioactive heterocycles and pharmaceutical intermediates. The ortho-cyanomethyl carboxylic acid functionality enables sequential transformations, including nucleophilic addition to the nitrile and decarboxylation of the acid under thermal conditions. Its bench-stable nature and compatibility with standard coupling protocols facilitate efficient access to substituted benzimidazoles, indoles, and other medicinally relevant scaffolds.

Synthesis

Route1
- In-stock
  
  68432-92-8
- ~76%
- In-stock
  
  5689-33-8
References
- ASTRAZENECA AB Patent: WO2004/96781 A1, 2004 ; Location in patent: Page 80 ; WO 2004/096781 A1
Route2
- In-stock
  
  1129-28-8
- ~%
- In-stock
  
  5689-33-8
References
- US4638002 A1, ;
Route3
- 773837-37-9
- In-stock
  
  6515-58-8
- ~%
- In-stock
  
  5689-33-8
References
- WO2010/136474 A2, ; Page/Page column 180-181 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 61.09
LogP 1.45088
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Analytical Science Drug Impurity Reference Substance Other Drugs Other impurity

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Ketoprofen impurity 2

CAS No. 5689-33-8

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