3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Name: 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 848953-05-9
Cat. No. CS-0101258
Purity≥98%
MDL No.MFCD18729899

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.

3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile|CS-0101258

Structure of 848953-05-9

Size

Price

Quantity

* Please select Quantity before adding items.

General Information

CAS No. 848953-05-9
Cat. No. CS-0101258
Purity ≥98%
MDL No. MFCD18729899
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₈BNO₂
Molecular Weight 243.11
Synonym(s) 4-Cyano-2-Methylphenylboronic acid, pinacol ester
SMILES N#CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(C)=C1

Description

3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile features a boronate ester group paired with a nitrile and methyl substituent on a phenyl ring. This combination enables direct coupling in Suzuki-Miyaura reactions under standard conditions. The tetramethyl-substituted dioxaborolane enhances stability and reactivity while minimizing protodeboronation. It serves as a key building block for functionalized aryl targets in medicinal chemistry and materials synthesis.

Application

3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile serves as a versatile boronate building block in Suzuki-Miyaura cross-coupling reactions. The nitrile group provides synthetic handle for downstream transformations, while the sterically protected boronate ester ensures excellent shelf stability and functional group tolerance. Its compatibility with diverse coupling partners enables efficient construction of biaryl scaffolds relevant to medicinal chemistry and materials science.

Synthesis

Route1
- In-stock
  
  41963-20-6
- In-stock
  
  73183-34-3
- ~60%
- In-stock
  
  848953-05-9
References
- SENSORS FOR MEDICINE AND SCIENCE, INC. Patent: WO2008/66921 A2, 2008 ; Location in patent: Page/Page column 47-48 ;
Route2
- In-stock
  
  76-09-5
- In-stock
  
  313546-18-8
- ~%
- In-stock
  
  848953-05-9
References
- Partridge, Benjamin M.; Thomas, Stephen P.; Aggarwal, Varinder K. Tetrahedron, 2011 , vol. 67, # 52 p. 10082 - 10088
Route3
- In-stock
  
  41963-20-6
- ~%
- In-stock
  
  848953-05-9
References
- Partridge, Benjamin M.; Thomas, Stephen P.; Aggarwal, Varinder K. Tetrahedron, 2011 , vol. 67, # 52 p. 10082 - 10088

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 42.25
LogP 2.1659
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

848953-05-9 sigma848953-05-9 manufacturer848953-05-9 price848953-05-9 structure848953-05-9 SDSbuy 848953-05-9848953-05-9 supplier848953-05-9 uses848953-05-9 molecular weightprice of 848953-05-9848953-05-9 chemical name formula of 848953-05-9

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:

3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS No. 848953-05-9

Recommended Products

General Information

Description

Application

Synthesis

References

References

References

Safety Information

Quality Control

Computational Chemistry Data

Similar Products

Other Classifications

Recently Viewed Products

Key Words