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[(1H-benzimidazol-2-ylmethyl)thio]acetic acid is a chemical compound with the molecular formula C10H10N2O2S. It is a derivative of benzimidazole, a heterocyclic compound used in the synthesis of drugs and agricultural chemicals. [(1H-benzimidazol-2-ylmethyl)thio]acetic acid features a thioether functional group attached to the benzimidazole ring, which endows it with potential applications as a chelating agent or as an intermediate in the synthesis of pharmaceuticals and other organic compounds. The presence of an acidic functional group also makes it suitable for the synthesis of esters or amides, broadening its utility in various chemical reactions and applications.

6017-11-4

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6017-11-4 Usage

Uses

Used in Pharmaceutical Industry:
[(1H-benzimidazol-2-ylmethyl)thio]acetic acid is used as an intermediate for the synthesis of various pharmaceuticals due to its unique chemical structure and functional groups. The benzimidazole core and thioether group provide opportunities for the development of new drugs with specific targeting and activity profiles.
Used in Agrochemical Industry:
In the agrochemical industry, [(1H-benzimidazol-2-ylmethyl)thio]acetic acid is used as a building block for the creation of novel compounds with pesticidal, herbicidal, or fungicidal properties. Its structural diversity allows for the design of targeted agrochemicals with improved efficacy and reduced environmental impact.
Used in Organic Synthesis:
[(1H-benzimidazol-2-ylmethyl)thio]acetic acid serves as a versatile intermediate in organic synthesis, particularly for the preparation of complex organic molecules and specialty chemicals. Its thioether and acidic functional groups facilitate a range of reactions, making it a valuable component in the synthesis of various organic compounds.
Used as a Chelating Agent:
Due to its thioether functional group, [(1H-benzimidazol-2-ylmethyl)thio]acetic acid can act as a chelating agent, which is useful in various industrial processes. Chelating agents are important for stabilizing metal ions, which can be crucial in applications such as water treatment, chemical analysis, and the synthesis of metal-organic frameworks.

Check Digit Verification of cas no

The CAS Registry Mumber 6017-11-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,0,1 and 7 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6017-11:
(6*6)+(5*0)+(4*1)+(3*7)+(2*1)+(1*1)=64
64 % 10 = 4
So 6017-11-4 is a valid CAS Registry Number.
InChI:InChI=1/C10H10N2O2S/c13-10(14)6-15-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)

6017-11-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Carboxymethylthiomethylbenzimidazole

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6017-11-4 SDS

6017-11-4Relevant academic research and scientific papers

Benzimidazole derivatives as NSO ligands for the fac-[M(CO) 3]+ (M = Re, 99mTc)

Tsotakos,Tsoukalas,Patsis,Panagiotopoulou,Nikolic,Jankovic,Djokic,Raptopoulou,Terzis,Papagiannopoulou,Pelecanou,Papadopoulos,Pirmettis

, p. 62 - 68 (2011)

Two rhenium(I) tricarbonyl complexes with the tridentate monoanionic NSO ligands, 4-(benzimidazol-2-yl)-3-thiabutanoic acid (complex 3) and [1-(11-carboxyundecanyl)-4-(benzimidazol-2-yl)]-3-thiabutanoic acid (complex 4) were synthesized and characterized by spectroscopic methods and elemental analysis. X-ray crystallographic analysis of complex 3 revealed a distorted octahedral geometry around rhenium defined by the three facially bound CO groups and the NSO donor atom set of the tridentate ligand. The analogous technetium-99m complexes (complexes 5 and 6) were also prepared quantitatively by reaction of the NSO ligands with the fac-[99mTc(H 2O)3(CO)3]+ synthon and their identity was established by chromatographic comparison to their rhenium congeners. Biodistribution in mice of complex 6 bearing the fatty acid chain showed significant heart uptake (6.26 ± 0.79% ID/g p.i.) at 1 min accompanied, however, with a heart:blood ratio below 1.

Synthesis of some new oxazolinyl/thia-zolinyl/imidazolinyl-benzoxazoles, benzothiazoles and benzimidazoles

Seenaiah,Venkatesh,Padmaja,Padmavathi

, p. 942 - 948 (2013/08/15)

A new class of oxazolinyl/thiazolinyl/imidazolinyl-benzo- xazoles/benzothiazoles/benzimidazoles have been prepared by exploiting the respective heterocyclic sulfonyl acetic acid methyl ester functionality with different nucleophiles using samarium(III) chloride.

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