tert-Butyl 17-bromoheptadecanoate

Name: tert-Butyl 17-bromoheptadecanoate
Brand: ChemScene
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CAS No. 2428400-70-6
Cat. No. CS-0514170
Purity≥97%
MDL No.MFCD31728061

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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 17-bromoheptadecanoate|CS-0514170

Structure of 2428400-70-6

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Description

tert-Butyl 17-bromoheptadecanoate features a long aliphatic chain terminated by a bromo-substituted ester group, enabling straightforward functionalization in late-stage modifications. This bench-stable reagent facilitates efficient coupling reactions and serves as a key intermediate in the synthesis of complex lipid analogs and bioactive molecules.

Application

tert-Butyl 17-bromoheptadecanoate serves as a versatile long-chain bromoester building block, enabling efficient late-stage functionalization via Pd-catalyzed cross-coupling reactions. Its tert-butyl ester group offers enhanced stability and ease of purification, while the terminal bromide facilitates reliable C–C bond formation under standard Suzuki, Stille, or Negishi conditions. Ideal for constructing complex lipid-like scaffolds and macrocyclic architectures in medicinal chemistry and materials science applications.

General Information

CAS No. 2428400-70-6
Cat. No. CS-0514170
Purity ≥97%
MDL No. MFCD31728061
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₁H₄₁BrO₂
Molecular Weight 405.46
Synonym(s) None
SMILES O=C(OC(C)(C)C)CCCCCCCCCCCCCCCCBr

Computational Chemistry Data

TPSA 26.3
LogP 7.5745
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 16

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Fatty chain compounds

Key Words

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tert-Butyl 17-bromoheptadecanoate

CAS No. 2428400-70-6

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