tert-Butyl 5-formylindoline-1-carboxylate

Name: tert-Butyl 5-formylindoline-1-carboxylate
Brand: ChemScene
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CAS No. 879887-32-8
Cat. No. CS-0082132
Purity≥97%
MDL No.MFCD12408236

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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tert-Butyl 5-formylindoline-1-carboxylate|CS-0082132

Structure of 879887-32-8

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General Information

CAS No. 879887-32-8
Cat. No. CS-0082132
Purity ≥97%
MDL No. MFCD12408236
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₇NO₃
Molecular Weight 247.29
Synonym(s) 1-Boc-5-formylindoline
SMILES O=C(N1CCC2=C1C=CC(C=O)=C2)OC(C)(C)C

Description

tert-Butyl 5-formylindoline-1-carboxylate features a sterically shielded tert-butyl ester and a reactive aldehyde group at the indoline C5 position, enabling selective functionalization. The electron-rich indoline core supports transition metal-catalyzed transformations, while the formyl moiety facilitates conjugation reactions under mild conditions. This bench-stable scaffold integrates readily into complex molecular architectures.

Application

tert-Butyl 5-formylindoline-1-carboxylate serves as a versatile building block for the synthesis of indoline-based pharmaceutical scaffolds. The formyl group enables direct functionalization via nucleophilic additions, while the protected amine facilitates subsequent coupling reactions. Its bench-stable nature and compatibility with standard transformations support efficient access to complex heterocycles in medicinal chemistry workflows.

Synthesis

Route1
- In-stock
  
  350683-41-9
- ~%
- In-stock
  
  879887-32-8
References
- EP2017263 A1, ; Page/Page column 76-77 ; EP 2017263 A1
Route2
- In-stock
  
  261732-38-1
- 68-12-2
- ~39%
- In-stock
  
  879887-32-8
- 143262-10-6
References
- US2006/63799 A1, ; Page/Page column 11 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P261-P280-P304+P340-P501

Quality Control

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Computational Chemistry Data

TPSA 46.61
LogP 2.7967
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

879887-32-8 sigma879887-32-8 manufacturer879887-32-8 price879887-32-8 structure879887-32-8 SDSbuy 879887-32-8879887-32-8 supplier879887-32-8 uses879887-32-8 molecular weightprice of 879887-32-8879887-32-8 chemical name formula of 879887-32-8

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tert-Butyl 5-formylindoline-1-carboxylate

CAS No. 879887-32-8

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