tert-Butyl 3-ethynylbenzoate

Name: tert-Butyl 3-ethynylbenzoate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 914943-91-2
Cat. No. CS-0088506
Purity≥98%
MDL No.MFCD25542332

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 914943-91-2

Size

Price

Quantity

* Please select Quantity before adding items.

Description

tert-Butyl 3-ethynylbenzoate features a para-ethynyl group appended to a benzoate scaffold, enabling efficient coupling in transition-metal-catalyzed reactions. The tert-butyl ester offers enhanced stability and ease of handling under standard conditions, while the alkyne moiety serves as a robust handle for Sonogashira and click chemistry applications.

Application

tert-Butyl 3-ethynylbenzoate serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to substituted biaryls and functionalized heterocycles. The terminal alkyne moiety exhibits excellent stability under standard reaction conditions, while the ester group offers compatibility with diverse transformations. Its bench-stable nature and straightforward purification facilitate integration into multi-step synthetic sequences, particularly in medicinal chemistry and materials science applications.

General Information

CAS No. 914943-91-2
Cat. No. CS-0088506
Purity ≥98%
MDL No. MFCD25542332
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₄O₂
Molecular Weight 202.25
Synonym(s) Benzoic acid, 3-ethynyl-, 1,1-dimethylethyl ester
SMILES O=C(OC(C)(C)C)C1=CC=CC(C#C)=C1

Computational Chemistry Data

TPSA 26.3
LogP 2.6232
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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

Other Classifications

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Life Science Click Chemistry Reagents Alkyne

Chemical Biology Pharmaceutical Development and Drug Discovery Research Conjugation Chemistry/Click Chemistry Terminal Alkynes

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

Key Words

tert-Butyl 3-ethynylbenzoate sigmatert-Butyl 3-ethynylbenzoate manufacturertert-Butyl 3-ethynylbenzoate pricetert-Butyl 3-ethynylbenzoate structuretert-Butyl 3-ethynylbenzoate SDSbuy tert-Butyl 3-ethynylbenzoatetert-Butyl 3-ethynylbenzoate suppliertert-Butyl 3-ethynylbenzoate usestert-Butyl 3-ethynylbenzoate molecular weightprice of tert-Butyl 3-ethynylbenzoatetert-Butyl 3-ethynylbenzoate chemical name formula of tert-Butyl 3-ethynylbenzoate

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:

tert-Butyl 3-ethynylbenzoate

CAS No. 914943-91-2

Recommended Products