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CAS Number: 21368-39-8
dimethyl 5-(allyloxy)isophthalate

Structure

dimethyl 5-(allyloxy)isophthalate
Name: dimethyl 5-(allyloxy)isophthalate
Synonyms:
General Information
Product Number: 21368398

CAS Registry Number 21368-39-8
Name:
1,​3-​Benzenedicarboxylic acid, 5-​(2-​propen-​1-​yloxy)​-​, 1,​3-​dimethyl ester
1,3-Benzenedicarboxylic acid, 5-(2-propenyloxy)-, dimethyl ester (9CI)
Isophthalic acid, 5-(allyloxy)-, dimethyl ester (8CI)
5-(Allyloxy)isophthalic acid dimethyl ester
Dimethyl 5-(allyloxy)isophthalate

 

Chemical Formula: C13H14O5
Exact Mass: 250.08
Molecular Weight: 250.25
m/z: 250.08 (100.0%), 251.09 (14.4%), 252.09 (2.0%)

 

InChI:InChI=1S/C13H14O5/c1-4-5-18-11-7-9(12(14)16-2)6-10(8-11)13(15)17-3/h4,6-8H,1,5H2,2-3H3

InChI Key:RSLUFPUYQPGPNC-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC(=CC(=C1)OCC=C)C(=O)OC

 

Thermal Properties Value Condition Note
Melting Point 42-44 °C   (3)CAS

Specification

98%

References

(3) Lienard, Benoit M. R.; Bioorganic & Medicinal Chemistry Letters 2007, V17(4), P964-968 CAPLUS

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