Cas no 1198097-29-8 (tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo2,3-bpyridine-1-carboxylate)
Tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate is a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its key advantages include a stable tert-butyloxycarbonyl (Boc) protecting group, which enhances handling and storage stability. The iodine substituent at the 3-position offers a reactive site for cross-coupling reactions, such as Suzuki or Sonogashira couplings, enabling further functionalization. The methyl group at the 5-position provides additional steric and electronic modulation for tailored reactivity. This compound is valuable in constructing complex heterocyclic frameworks, making it a useful building block for drug discovery and material science research. High purity and well-defined reactivity ensure consistent performance in synthetic workflows.
1198097-29-8 structure
Product Name:tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo2,3-bpyridine-1-carboxylate
CAS No:1198097-29-8
MF:C13H15IN2O2
MW:358.174875497818
MDL:MFCD13176648
CID:1074962
PubChem ID:329772035
Update Time:2025-06-06
tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo2,3-bpyridine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- tert-Butyl 3-iodo-5-methyl-1h-pyrrolo-[2,3-b]pyridine-1-carboxylate
- tert-butyl 3-iodo-5-methylpyrrolo[2,3-b]pyridine-1-carboxylate
- tert-Butyl3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, AldrichCPR
- AKOS015853691
- YXB09729
- 1198097-29-8
- DTXSID70673629
- CS-0094668
- MFCD13176648
- tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo2,3-bpyridine-1-carboxylate
-
- MDL： MFCD13176648
- Inchi： 1S/C13H15IN2O2/c1-8-5-9-10(14)7-16(11(9)15-6-8)12(17)18-13(2,3)4/h5-7H,1-4H3
- InChI Key： PMPAJDNMABXNRB-UHFFFAOYSA-N
- SMILES： IC1=CN(C(=O)OC(C)(C)C)C2C1=CC(C)=CN=2
Computed Properties
- Exact Mass: 358.01800
- Monoisotopic Mass: 358.018
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 329
- 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
- Topological Polar Surface Area: 44.1A^2
- XLogP3: 3.5
Experimental Properties
- PSA: 44.12000
- LogP: 3.73250
tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo2,3-bpyridine-1-carboxylate Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H302
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 22
- Safety Instruction： H303+H313+H333
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo2,3-bpyridine-1-carboxylate 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%
tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo2,3-bpyridine-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM332971-1g |
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | 95%+ | 1g |
$2026 | 2021-08-18 | |
| TRC | B811580-10mg |
tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B811580-50mg |
tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | 50mg |
$ 160.00 | 2022-06-06 | ||
| TRC | B811580-100mg |
tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | 100mg |
$ 250.00 | 2022-06-06 | ||
| Matrix Scientific | 054156-100mg |
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo-[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | 100mg |
$237.00 | 2021-06-27 | ||
| Matrix Scientific | 054156-500mg |
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo-[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | 500mg |
$520.00 | 2021-06-27 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | ADE001034-1G |
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | Aldrich | 1G |
￥8753.36 | 2022-02-24 | |
| Ambeed | A767666-1g |
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | 95+% | 1g |
$1149.0 | 2024-04-25 | |
| Chemenu | CM332971-1g |
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | 95%+ | 1g |
$1439 | 2023-02-03 | |
| abcr | AB263517-1 g |
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate |
1198097-29-8 | 1 g |
€891.00 | 2023-07-20 |
tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo2,3-bpyridine-1-carboxylate Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Jason Wan Lab Chip, 2020,20, 4528-4538
1198097-29-8 (tert-Butyl 3-Iodo-5-methyl-1H-pyrrolo2,3-bpyridine-1-carboxylate) Related Products
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