1,1-Dimethylethyl 4-iodobutanoate

Name: 1,1-Dimethylethyl 4-iodobutanoate
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CAS No. 6182-78-1
Cat. No. CS-0651966
Purity≥95%
MDL No.MFCD25965404

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1,1-Dimethylethyl 4-iodobutanoate|CS-0651966

Structure of 6182-78-1

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General Information

CAS No. 6182-78-1
Cat. No. CS-0651966
Purity ≥95%
MDL No. MFCD25965404
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₅IO₂
Molecular Weight 270.11
Synonym(s) None
SMILES O=C(OC(C)(C)C)CCCI

Description

1,1-Dimethylethyl 4-iodobutanoate features a terminal iodide group flanked by a sterically hindered tert-butyl ester, enabling efficient cross-coupling transformations under mild conditions. This robust scaffold facilitates rapid installation of complex alkyl chains in late-stage functionalization workflows, offering enhanced stability and predictable reactivity across diverse synthetic sequences.

Application

1,1-Dimethylethyl 4-iodobutanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to γ-iodo ester intermediates via standard deprotection protocols. The tert-butyl ester group provides excellent bench stability and facilitates straightforward purification, while the pendant iodide supports palladium-catalyzed cross-coupling reactions, including Suzuki-Miyaura and Negishi transformations. This compound functions reliably in multi-step syntheses requiring orthogonal functionalization and stable electrophilic handles for late-stage diversification.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P501

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Computational Chemistry Data

TPSA 26.3
LogP 2.5433
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Boc

Building Blocks Functional Group Iodide

Key Words

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1,1-Dimethylethyl 4-iodobutanoate

CAS No. 6182-78-1

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