tert-Butyl 7-bromoheptanoate

Name: tert-Butyl 7-bromoheptanoate
Brand: ChemScene
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CAS No. 51100-47-1
Cat. No. CS-0136661
Purity≥97%
MDL No.MFCD27924668

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Structure of 51100-47-1

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General Information

CAS No. 51100-47-1
Cat. No. CS-0136661
Purity ≥97%
MDL No. MFCD27924668
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₁BrO₂
Molecular Weight 265.19
Synonym(s) None
SMILES O=C(OC(C)(C)C)CCCCCCBr

Description

tert-Butyl 7-bromoheptanoate features a brominated aliphatic chain tethered to a tert-butyl ester, offering a robust handle for downstream functionalization. This bench-stable reagent facilitates efficient coupling reactions in synthetic routes requiring controlled carbon–carbon bond formation.

Application

tert-Butyl 7-bromoheptanoate serves as a versatile bromoalkyl building block for C–C bond formation via cross-coupling reactions. Its tert-butyl ester functionality provides enhanced stability and ease of purification, while the terminal bromide enables reliable Suzuki, Stille, and Negishi coupling processes. The molecule functions effectively in multi-step syntheses requiring controlled functional group introduction and orthogonal reactivity, making it well-suited for the construction of complex alkyl chains and heterocyclic scaffolds in medicinal chemistry and process R&D workflows.

Synthesis

Route1
- In-stock
  
  680-31-9
- 111-24-0
- 540-88-5
- ~%
- In-stock
  
  51100-47-1
References
- Ono Pharmaceutical Co., Ltd.; Kissei Pharmaceutical Co., Ltd. Patent: US4346099 A1, 1982 ;
Route2
- 111-24-0
- 1207973-75-8
- ~%
- In-stock
  
  51100-47-1
References
- Kieczykowski,G.R. et al. Journal of Organic Chemistry, 1977 , vol. 42, p. 175 - 176
Route3
- 111-24-0
- 540-88-5
- ~%
- In-stock
  
  51100-47-1
References
- Marino; Kelly Journal of Organic Chemistry, 1981 , vol. 46, # 22 p. 4389 - 4393

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS02,GHS07
Signal Word : Danger	UN#: 3272
Class : 3	Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 26.3
LogP 3.6735
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 6

Other Classifications

Building Blocks Skeleton Fatty chain compounds

Building Blocks Functional Group Boc

Building Blocks Functional Group Bromide

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Proteolysis Targeting Chimera Research Reagents

Biochemistry Pharmaceutical Development and Drug Discovery Research Proteolysis Targeting Chimera Research Reagents

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tert-Butyl 7-bromoheptanoate

CAS No. 51100-47-1

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