Cas no 5585-96-6 (4-Acetoxyindole)
4-Acetoxyindole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indol-4-yl acetate
- 4-Indolyl acetate
- 4-ACETOXYINDOLE
- acetic acid 1H-indol-4-yl ester
- ZXDMUHFTJWEDEF-UHFFFAOYSA-N
- 4-IndolylAcetate
- 4-Acetoxy indole
- 4-Indoxyl acetate
- PubChem7301
- 4-Acetoxy-1H-indole
- 1H-indol-4-yl ethanoate
- 1H-Indol-4-yl acetate #
- 1H-Indol-4-ol,4-acetate
- TRA0029728
- AB01042
- CM10945
- AJ-
- 5585-96-6
- MFCD00010678
- FT-0618758
- 4-Indolyl acetate, 99%
- A-0300
- AC-4398
- AKOS015837973
- SY004859
- AS-31131
- A830841
- SCHEMBL594038
- DTXSID70342707
- CS-W017456
- DB-052811
- 4-Indolylacetate; Indol-4-ol, Acetate (Ester); 1H-Indol-4-ol, Acetate (Ester); Indol-4-ol, Acetate;
- 4-Acetoxyindole
-
- MDL： MFCD00010678
- Inchi： 1S/C10H9NO2/c1-7(12)13-10-4-2-3-9-8(10)5-6-11-9/h2-6,11H,1H3
- InChI Key： ZXDMUHFTJWEDEF-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CC=CC2=C1C=CN2
Computed Properties
- Exact Mass: 175.06300
- Monoisotopic Mass: 175.063329
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
- Topological Polar Surface Area: 42.1
Experimental Properties
- Color/Form: Not determined
- Density: 1.2550
- Melting Point: 100-102?°C (lit.)
- Boiling Point: 339.1℃ at 760 mmHg
- Flash Point: 158.9℃
- Refractive Index: 1.633
- PSA: 42.09000
- LogP: 2.09320
- Solubility: Not determined
4-Acetoxyindole Security Information
- Hazard Statement： Irritant
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
-
Hazardous Material Identification：
4-Acetoxyindole Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-Acetoxyindole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 226279-1g |
1H-Indol-4-yl acetate |
5585-96-6 | 98% | 1g |
￡20.00 | 2022-02-28 | |
| Fluorochem | 226279-5g |
1H-Indol-4-yl acetate |
5585-96-6 | 98% | 5g |
￡50.00 | 2022-02-28 | |
| Fluorochem | 226279-25g |
1H-Indol-4-yl acetate |
5585-96-6 | 98% | 25g |
￡180.00 | 2022-02-28 | |
| Fluorochem | 226279-100g |
1H-Indol-4-yl acetate |
5585-96-6 | 98% | 100g |
￡600.00 | 2022-02-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | L115488-1G |
4-Acetoxyindole |
5585-96-6 | 99% | 1g |
￥89.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | L115488-250MG |
4-Acetoxyindole |
5585-96-6 | 99% | 250mg |
￥39.90 | 2023-09-02 | |
| Alichem | A199008232-10g |
1H-Indol-4-yl acetate |
5585-96-6 | 97% | 10g |
$295.00 | 2023-09-01 | |
| Alichem | A199008232-25g |
1H-Indol-4-yl acetate |
5585-96-6 | 97% | 25g |
$397.50 | 2023-09-01 | |
| Alichem | A199008232-100g |
1H-Indol-4-yl acetate |
5585-96-6 | 97% | 100g |
$899.94 | 2023-09-01 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R005571-1g |
4-Acetoxyindole |
5585-96-6 | 98% | 1g |
￥53 | 2024-05-22 |
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4-Acetoxyindole Related Literature
-
Yue Wang,Qiuqin He,Renhua Fan Org. Chem. Front. 2021 8 3004
-
Bo-You Wu,Fang-Yi Shih,Yu-Tung Tsai,Chia-Yen Chu,Cheng-Kun Lin Org. Biomol. Chem. 2023 21 4601
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3. 324. The chemistry of bacteria. Part I. The synthesis of hydroxyindolesR. J. S. Beer,Kenneth Clarke,H. G. Khorana,Alexander Robertson J. Chem. Soc. 1948 1605
Additional information on 4-Acetoxyindole
Research Brief on 4-Acetoxyindole (CAS: 5585-96-6): Recent Advances and Applications in Chemical Biology and Medicine
4-Acetoxyindole (CAS: 5585-96-6) is a chemically modified indole derivative that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including serotonin analogs and other neurologically active compounds. Recent studies have explored its potential in drug discovery, particularly in the development of novel therapeutics targeting neurological disorders and cancer.
A 2023 study published in the Journal of Medicinal Chemistry investigated the role of 4-Acetoxyindole as a precursor in the synthesis of selective serotonin receptor agonists. The researchers demonstrated that this compound could be efficiently converted into derivatives with high affinity for 5-HT receptors, which are critical targets for treating depression and anxiety disorders. The study highlighted the compound's stability and reactivity, making it a valuable building block in medicinal chemistry.
In addition to its neurological applications, 4-Acetoxyindole has shown promise in oncology research. A recent preprint on bioRxiv detailed its use in the synthesis of indole-based small molecules that inhibit histone deacetylases (HDACs), enzymes implicated in cancer progression. The study reported that derivatives of 4-Acetoxyindole exhibited potent HDAC inhibitory activity, suggesting potential as lead compounds for anticancer drug development.
Another area of interest is the compound's role in chemical biology. A 2024 paper in ACS Chemical Biology described the use of 4-Acetoxyindole as a fluorescent probe for studying protein-ligand interactions. The researchers utilized its unique photophysical properties to develop a sensitive assay for detecting binding events in real-time, offering new tools for high-throughput screening in drug discovery.
Despite these advances, challenges remain in optimizing the pharmacokinetic properties of 4-Acetoxyindole derivatives. A review in Current Topics in Medicinal Chemistry (2023) emphasized the need for further structural modifications to improve bioavailability and reduce off-target effects. Future research directions may include computational modeling to predict optimal derivatives and in vivo studies to validate therapeutic efficacy.
In conclusion, 4-Acetoxyindole (CAS: 5585-96-6) continues to be a molecule of significant interest in chemical biology and pharmaceutical research. Its versatility as a synthetic intermediate and potential therapeutic applications make it a valuable subject for ongoing investigation. As research progresses, this compound may pave the way for novel treatments in neurology and oncology, addressing unmet medical needs.
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