(Z)-Hex-3-en-1-yl 2-hydroxybenzoate

Name: (Z)-Hex-3-en-1-yl 2-hydroxybenzoate
Brand: ChemScene
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CAS No. 65405-77-8
Cat. No. CS-W014251
Purity≥97%
MDL No.MFCD00036486

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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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(Z)-Hex-3-en-1-yl 2-hydroxybenzoate|CS-W014251

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General Information

CAS No. 65405-77-8
Cat. No. CS-W014251
Purity ≥97%
MDL No. MFCD00036486
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₆O₃
Molecular Weight 220.27
Synonym(s) cis-3-Hexenyl salicylate
SMILES O=C(OCC/C=C\CC)C1=CC=CC=C1O

Description

(Z)-Hex-3-en-1-yl 2-hydroxybenzoate features a conjugated enol ether linkage and a phenolic hydroxyl group, enabling selective coupling in synthetic routes. This configuration delivers enhanced stability under standard conditions while maintaining reactivity for downstream transformations in natural product synthesis and chemical biology applications.

Application

(Z)-Hex-3-en-1-yl 2-hydroxybenzoate serves as a versatile synthetic intermediate for the construction of bioactive heterocycles and functionalized aromatic systems. The allylic alcohol functionality enables straightforward derivatization via oxidation, protection, or coupling reactions. Its (Z)-configured alkene offers predictable stereochemical control in subsequent transformations, while the ortho-hydroxybenzoate ester group provides a handle for selective modifications and contributes to favorable solubility and purification characteristics during synthesis.

Synthesis

Route1
- In-stock
  
  928-96-1
- 119-36-8
- ~90%
- In-stock
  
  65405-77-8
References
- Kao Corporation Patent: US2006/58547 A1, 2006 ; Location in patent: Page/Page column 5 ;

Safety Information

Download SDS

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+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 46.53
LogP 2.9053
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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(Z)-Hex-3-en-1-yl 2-hydroxybenzoate

CAS No. 65405-77-8

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