Octan-2-yl 2-cyanoacetate

Name: Octan-2-yl 2-cyanoacetate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 52688-08-1
Cat. No. CS-0152305
Purity≥98%
MDL No.MFCD00236390

HazMat Fee +

HazMat Fee

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it. There is a HazMat shipping fee for each item that qualifies as a dangerous good, except in the following scenarios:

The shipment is processed through FedEx Ground under the Limited Quantity option.

Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

Structure of 52688-08-1

Size

Price

Quantity

* Please select Quantity before adding items.

General Information

CAS No. 52688-08-1
Cat. No. CS-0152305
Purity ≥98%
MDL No. MFCD00236390
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₉NO₂
Molecular Weight 197.27
Synonym(s) octan-2-yl cyanoacetate
SMILES CCCCCCC(C)OC(=O)CC#N

Description

Octan-2-yl 2-cyanoacetate features a sterically hindered alkyl chain paired with a reactive cyanoacetate ester, enabling efficient incorporation into Michael addition cascades. This bench-stable derivative facilitates the construction of complex heterocycles under mild conditions, offering enhanced solubility in organic media and predictable reactivity in synthetic sequences.

Application

Octan-2-yl 2-cyanoacetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to α-cyano ester derivatives through standard hydrolysis and decarboxylation sequences. Its alkyl chain provides favorable solubility and bench stability, while the nitrile and ester functionalities offer orthogonal reactivity for subsequent transformations such as nucleophilic additions, cyclizations, and heterocycle formation. This compound functions reliably in multistep synthesis workflows requiring controlled functional group handling and high reproducibility.

Synthesis

Route1
- 4128-31-8
- 372-09-8
- ~%
- In-stock
  
  52688-08-1
References
- LOCTITE (R and D) LIMITED Patent: WO2008/50313 A1, 2008 ; Location in patent: Page/Page column 32 ;

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

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

TPSA 50.09
LogP 2.80218
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 7

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ester

Key Words

Octan-2-yl 2-cyanoacetate sigmaOctan-2-yl 2-cyanoacetate manufacturerOctan-2-yl 2-cyanoacetate priceOctan-2-yl 2-cyanoacetate structureOctan-2-yl 2-cyanoacetate SDSbuy Octan-2-yl 2-cyanoacetateOctan-2-yl 2-cyanoacetate supplierOctan-2-yl 2-cyanoacetate usesOctan-2-yl 2-cyanoacetate molecular weightprice of Octan-2-yl 2-cyanoacetateOctan-2-yl 2-cyanoacetate chemical name formula of Octan-2-yl 2-cyanoacetate

Salutation:	*Country or Region:
*Applicant Name:	*Organization Name:
*Email Address:	Quantity:
CAS NO. :	Product Name:
Remarks:
Upload Pictures

CAS.No.		Product Name
Applicant Name *		Email Address *
Phone Number *		Organization Name*
Country or Region*		Quantity*
Remarks:

Product Name:
Cat. No.: .		CAS NO. :
Quantity:

Octan-2-yl 2-cyanoacetate

CAS No. 52688-08-1

Recommended Products