Cas no 177548-85-5 (Benzoic acid, 4-(1H-indol-1-ylmethyl)-)
Benzoic acid, 4-(1H-indol-1-ylmethyl)-, is a synthetic organic compound featuring a benzoic acid core substituted with an indole-derived methyl group at the para position. This structure imparts unique chemical properties, making it a valuable intermediate in pharmaceutical and agrochemical research. The indole moiety enhances its potential for biological activity, while the carboxylic acid group offers versatility for further derivatization. Its well-defined molecular architecture ensures consistent reactivity, facilitating applications in heterocyclic synthesis and drug development. The compound is characterized by high purity and stability, ensuring reliable performance in experimental and industrial settings. Its structural features make it particularly useful for studying indole-based bioactive molecules.
177548-85-5 structure
Product Name:Benzoic acid, 4-(1H-indol-1-ylmethyl)-
CAS No:177548-85-5
MF:C16H13NO2
MW:251.279924154282
MDL:MFCD04332181
CID:1364146
Update Time:2025-09-28
Benzoic acid, 4-(1H-indol-1-ylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(1H-indol-1-ylmethyl)-
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- MDL: MFCD04332181
- Inchi: 1S/C16H13NO2/c18-16(19)14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-10H,11H2,(H,18,19)
- InChI Key: VRIJLWFQCYRLMR-UHFFFAOYSA-N
- SMILES: OC(C1C=CC(=CC=1)CN1C=CC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 251.09469
Experimental Properties
- PSA: 42.23
Benzoic acid, 4-(1H-indol-1-ylmethyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 171381-5g |
4-Indol-1-ylmethylbenzoic acid, 95% |
177548-85-5 | 95% | 5g |
$1320.00 | 2023-09-10 |
Benzoic acid, 4-(1H-indol-1-ylmethyl)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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