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CAS Number: 5870-38-2
diethyl 2,5-dihydroxyterephthalate

Structure

diethyl 2,5-dihydroxyterephthalate
Name: diethyl 2,5-dihydroxyterephthalate
Synonyms:
General Information
Product Number: 5870382

CAS Registry Number 5870-38-2
Name:
1,​4-​Benzenedicarboxylic acid, 2,​5-​dihydroxy-​, 1,​4-​diethyl ester
1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diethyl ester (9CI)
Terephthalic acid, 2,5-dihydroxy-, diethyl ester (6CI,7CI,8CI)
2,5-Dihydroxyterephthalic acid diethyl ester
Diethyl 2,5-dihydroxy-1,4-terephthalate
Diethyl 2,5-dihydroxyterephthalate

 

Chemical Formula: C12H14O6
Exact Mass: 254.08
Molecular Weight: 254.24
m/z: 254.08 (100.0%), 255.08 (13.2%), 256.08 (1.2%)

 

InChI:InChI=1S/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H3

InChI Key:UQOUOXLHXPHDHF-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CC(=C(C=C1O)C(=O)OCC)O

 

Thermal Properties Value Condition Note
Melting Point 133-135 °C   (7)CAS
Melting Point 133-134 °C   (3)CAS
Melting Point 133-134 °C   (6)IC
Melting Point 125-127 °C   (9)CAS
Melting Point See full text   (10)CAS

Specification

98%

References
  1. (3) Hintermann, Lukas; Synthesis 2008, (14), P2303-2306 CAPLUS
  2. (6) Pillai, T. Perumal; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1978, V16B(3), P235-6 CAPLUS
  3. (7) Zhang, Xiao-bing; Journal of Molecular Structure 2007, V846(1-3), P55-64 CAPLUS
  4. (9) Itami, Kenichiro; Journal of Organic Chemistry 1998, V63(19), P6466-6471 CAPLUS
  5. (10) Kato, Tetsuzo; Yakugaku Zasshi 1967, V87(5), P605-8 CAPLUS
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