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Lot numbers can be found on the outside label of a product:
1H-benzo[d]imidazole-4-carboxylic acid
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CAS No. 46006-36-4
- Cat. No. CS-D0827
- Purity≥97%
- MDL No.MFCD01823426
*For research and further manufacturing use only, not for direct human use.
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Structure of 46006-36-4
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General Information
- CAS No. 46006-36-4
- Cat. No. CS-D0827
- Purity ≥97%
- MDL No. MFCD01823426
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆N₂O₂
- Molecular Weight 162.15
- Synonym(s) Benzimidazole-4-carboxylic acid
- SMILES O=C(C1=C2C(NC=N2)=CC=C1)O
Description
1H-benzo[d]imidazole-4-carboxylic acid features a rigid, electron-deficient heterocyclic core paired with a carboxylic acid handle, enabling direct conjugation in peptide and macrocyclic scaffolds. This bench-stable compound integrates readily into bioactive molecule design, offering enhanced metabolic stability and improved solubility profiles in polar solvents.
Application
1H-benzo[d]imidazole-4-carboxylic acid serves as a versatile scaffold for the synthesis of bioactive heterocycles, enabling efficient functionalization at the carboxylic acid and imidazole nitrogen sites. Its bench-stable nature and compatibility with standard coupling reactions facilitate direct incorporation into pharmaceutical intermediates and macrocyclic systems. Functions effectively in peptide coupling, amide formation, and transition-metal-catalyzed transformations, offering robust utility in medicinal chemistry and process development workflows.
Synthesis
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Route1
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64-18-6 - ~%
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In-stock
46006-36-4
References
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Barber, Christopher Gordon; Bunnage, Mark Edward; Harvey, John Wilson; Mathias, John Paul Patent: US2005/20611 A1, 2005 ; Location in patent: Page/Page column 29 ;
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References
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Newcastle University Ventures Limited Patent: US6100283 A1, 2000 ;
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Route3
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122-51-0
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In-stock
603-81-6 - ~99%
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In-stock
46006-36-4
References
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SIGNAL PHARMACEUTICALS, LLC Patent: WO2008/51494 A1, 2008 ; Location in patent: Page/Page column 132 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H319
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 65.98
- LogP 1.2611
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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