Lot numbers can be found on the outside label of a product:
Dimethyl 4-hydroxyphthalate
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CAS No. 22479-95-4
- Cat. No. CS-0042922
- Purity≥96%
- MDL No.MFCD00060092
*For research and further manufacturing use only, not for direct human use.
Structure of 22479-95-4
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General Information
- CAS No. 22479-95-4
- Cat. No. CS-0042922
- Purity ≥96%
- MDL No. MFCD00060092
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀O₅
- Molecular Weight 210.18
- Synonym(s) Dimethyl-4-hydroxyphthalate
- SMILES O=C(OC)C1=CC=C(O)C=C1C(OC)=O
Description
Dimethyl 4-hydroxyphthalate features a phenolic hydroxyl group flanked by two ester functionalities, enabling dual reactivity in synthetic transformations. This ortho-substituted diester integrates readily into polymeric systems and serves as a key intermediate in the synthesis of bioactive esters and fluorescent derivatives under standard conditions.
Application
Dimethyl 4-hydroxyphthalate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized phthalate derivatives. Its dual ester groups and phenolic hydroxyl facilitate selective derivatization, while the aromatic core provides stability and compatibility with common coupling reactions. The compound exhibits excellent bench stability and simplifies purification due to its crystalline nature, making it well-suited for use in medicinal chemistry and materials synthesis workflows.
Synthesis
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Route1
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67-56-1 -
In-stock
610-35-5 - ~10%
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In-stock
22479-95-4
References
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WO2014/18866 A1, ; Paragraph 00175; 00176 ;
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Route2
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In-stock
610-35-5
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18107-18-1
- ~12%
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In-stock
22479-95-4
References
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US2008/21052 A1, ; Page/Page column 31 ; US 20080021052 A1
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Route3
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In-stock
610-35-5
- ~97%
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In-stock
22479-95-4
References
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US6590118 B1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 72.83
- LogP 0.9654
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 2
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