Cas no 1004558-41-1 (1-BOC 7-Chloroindole)
1-BOC 7-Chloroindole is a protected indole derivative featuring a tert-butoxycarbonyl (BOC) group at the 1-position and a chloro substituent at the 7-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The BOC group enhances stability, allowing for selective deprotection under mild acidic conditions, while the chloro substituent facilitates further functionalization via cross-coupling or nucleophilic substitution reactions. Its well-defined reactivity profile makes it valuable for constructing complex heterocyclic frameworks. The compound is typically supplied in high purity, ensuring consistent performance in synthetic applications. Proper handling under inert conditions is recommended to preserve its integrity.
1-BOC 7-Chloroindole structure
Product Name:1-BOC 7-Chloroindole
CAS No:1004558-41-1
MF:C13H14ClNO2
MW:251.708762645721
MDL:MFCD13183456
CID:857857
PubChem ID:53216947
Update Time:2025-05-27
1-BOC 7-Chloroindole Chemical and Physical Properties
Names and Identifiers
-
- tert-Butyl 7-chloro-1H-indole-1-carboxylate
- 1-BOC 7-Chloroindole
- tert-butyl 7-chloroindole-1-carboxylate
- 7-Chloro-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester
- DKEVEWZLEMGFNK-UHFFFAOYSA-N
- 7-chloro-indole-1-carboxylic acid tert-butyl ester
- tert-Butyl7-chloro-1H-indole-1-carboxylate
- MFCD13183456
- 1H-Indole-1-carboxylic acid, 7-chloro-, 1,1-dimethylethyl ester
- 1004558-41-1
- SCHEMBL2877952
- DTXSID30682075
- DA-48429
- AKOS015837037
- 1-Boc-7-chloroindole
- BS-19039
-
- MDL： MFCD13183456
- Inchi： 1S/C13H14ClNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-8H,1-3H3
- InChI Key： DKEVEWZLEMGFNK-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2C=CN(C(=O)OC(C)(C)C)C=21
Computed Properties
- Exact Mass: 251.07100
- Monoisotopic Mass: 251.0713064g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 300
- 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
- XLogP3: 3.9
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- Density: 1.19±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Insuluble (4.3E-3 g/L) (25 oC),
- PSA: 31.23000
- LogP: 4.07790
1-BOC 7-Chloroindole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A199008852-5g |
tert-Butyl 7-chloro-1H-indole-1-carboxylate |
1004558-41-1 | 95% | 5g |
$441.37 | 2023-09-04 | |
| TRC | B646165-50mg |
1-BOC 7-Chloroindole |
1004558-41-1 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B646165-100mg |
1-BOC 7-Chloroindole |
1004558-41-1 | 100mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B646165-500mg |
1-BOC 7-Chloroindole |
1004558-41-1 | 500mg |
$ 210.00 | 2022-06-07 | ||
| Chemenu | CM147766-5g |
tert-butyl 7-chloro-1H-indole-1-carboxylate |
1004558-41-1 | 95% | 5g |
$409 | 2021-08-05 | |
| Fluorochem | 231546-1g |
tert-Butyl 7-chloro-1H-indole-1-carboxylate |
1004558-41-1 | 95% | 1g |
￡150.00 | 2022-02-28 | |
| Fluorochem | 231546-5g |
tert-Butyl 7-chloro-1H-indole-1-carboxylate |
1004558-41-1 | 95% | 5g |
￡576.00 | 2022-02-28 | |
| abcr | AB272436-1 g |
1-Boc 7-chloroindole, 98%; . |
1004558-41-1 | 98% | 1g |
€169.50 | 2023-04-26 | |
| abcr | AB272436-5 g |
1-Boc 7-chloroindole, 98%; . |
1004558-41-1 | 98% | 5g |
€424.50 | 2023-04-26 | |
| abcr | AB272436-1g |
1-Boc 7-chloroindole, 98%; . |
1004558-41-1 | 98% | 1g |
€169.50 | 2025-04-22 |
1-BOC 7-Chloroindole Related Literature
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
1004558-41-1 (1-BOC 7-Chloroindole) Related Products
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