α,α,α',α'-Tetramethyl-1,3-benzenedipropionic acid

Name: α,α,α',α'-Tetramethyl-1,3-benzenedipropionic acid
Brand: ChemScene
Availability: InStock
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CAS No. 819050-88-9
Cat. No. CS-0168187
Molecule weight278.34
Purity≥98%
MDL No.MFCD08276874

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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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α,α,α',α'-Tetramethyl-1,3-benzenedipropionic acid|CS-0168187

Structure of 819050-88-9

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General Information

CAS No. 819050-88-9
Cat. No. CS-0168187
Purity ≥98%
MDL No. MFCD08276874
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₂O₄
Molecular Weight 278.34
Synonym(s) alpha,alpha,alpha',alpha'-Tetramethyl-1,3-benzenedipropionic acid
SMILES O=C(C(C)(CC1=CC=CC(CC(C)(C)C(O)=O)=C1)C)O

Description

This tetramethyl-substituted benzenedipropionic acid features a rigid, electron-rich aromatic core flanked by carboxylic acid groups, enabling precise spatial control in molecular scaffolding. The steric bulk of the methyl substituents imparts enhanced solubility and resistance to decarboxylation under standard conditions.

Application

α,α,α',α'-Tetramethyl-1,3-benzenedipropionic acid serves as a sterically hindered aromatic diacid building block, enabling the synthesis of constrained cycloalkane and heterocyclic scaffolds. Its ortho-dicarboxylic acid functionality facilitates efficient esterification, amide coupling, and cyclization reactions under standard conditions. The tetramethyl substitution enhances bench stability and improves solubility in organic media, simplifying purification and handling in multi-step syntheses.

Synthesis

Route1
- 69774-36-3
- ~68%
- In-stock
  
  819050-88-9
References
- Espino, Christine G.; Fiori, Kristin Williams; Kim, Mihyong; Du Bois Journal of the American Chemical Society, 2004 , vol. 126, # 47 p. 15378 - 15379
Route2
- In-stock
  
  626-16-4
- ~%
- In-stock
  
  819050-88-9
References
- Journal of the American Chemical Society, , vol. 126, # 47 p. 15378 - 15379

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 74.6
LogP 2.9932
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 6

Key Words

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α,α,α',α'-Tetramethyl-1,3-benzenedipropionic acid

CAS No. 819050-88-9

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