tert-Butyl Bicyclo[2.2.1]-5-heptene-2-carboxylate

Name: tert-Butyl Bicyclo[2.2.1]-5-heptene-2-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 154970-45-3
Cat. No. CS-0154842
Purity≥96%
MDL No.MFCD08704200

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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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tert-Butyl Bicyclo[2.2.1]-5-heptene-2-carboxylate|CS-0154842

Structure of 154970-45-3

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General Information

CAS No. 154970-45-3
Cat. No. CS-0154842
Purity ≥96%
MDL No. MFCD08704200
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₈O₂
Molecular Weight 194.27
Synonym(s) tert-Butyl Bicyclo[2.2.1]hept-5-ene-2-carboxylate (endo- and exo- mixture)
SMILES CC(C)(C)OC(=O)C1CC2C=CC1C2

Description

3-Chloro-5-fluorobenzeneboronic acid is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Application

tert-Butyl Bicyclo[2.2.1]-5-heptene-2-carboxylate serves as a versatile bicyclic building block for synthetic and medicinal chemistry, leveraging the strained norbornene framework to enable stereoselective functionalization. The tert-butyl ester group provides bench stability and facilitates straightforward deprotection under mild acidic conditions. Its inherent rigidity and defined stereochemistry make it ideal for constructing complex polycyclic scaffolds via Diels-Alder reactions, cycloadditions, and transition-metal-catalyzed transformations.

Synthesis

Route1
- 75-65-0
- ~%
- In-stock
  
  154970-45-3
References
- Russian Journal of Applied Chemistry, , vol. 79, # 10 p. 1621 - 1625
Route2
- 1663-39-4
- 542-92-7
- ~%
- In-stock
  
  154970-45-3
References
- US6372935 B1, ; Page column 9 ;

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 26.3
LogP 2.5403
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Boc

Material Science Polymer Materials Macromolecular Monomer

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Material Science Polymer/Macromolecule Reagents Monomers Cyclic Olefin Monomers

Key Words

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tert-Butyl Bicyclo[2.2.1]-5-heptene-2-carboxylate

CAS No. 154970-45-3

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