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CAS Number: 104085-30-5
diethyl 2-((3-(bromomethyl)thiophen-2-yl)methylene)malonate

Structure

diethyl 2-((3-(bromomethyl)thiophen-2-yl)methylene)malonate
Name: diethyl 2-((3-(bromomethyl)thiophen-2-yl)methylene)malonate
Synonyms:
General Information
Product Number: 104085305
CAS Registry Number: 104085-30-5
Name:
        Propanedioic acid, 2-​[[3-​(bromomethyl)​-​2-​thienyl]​methylene]​-​, 1,​3-​diethyl ester
        Propanedioic acid, [[3-​(bromomethyl)​-​2-​thienyl]​methylene]​-​, diethyl ester (9CI) 
 
Chemical Formula: C13H15BrO4S
Exact Mass: 345.99
Molecular Weight: 347.22
m/z: 345.99 (100.0%), 347.99 (99.1%), 346.99 (15.2%), 348.99 (14.7%), 347.98 (4.5%), 349.98 (4.4%), 349.99 (1.9%)
Elemental Analysis: C, 44.97; H, 4.35; Br, 23.01; O, 18.43; S, 9.23
 
InChI: InChI=1S/C13H15BrO4S/c1-3-17-12(15)10(13(16)18-4-2)7-11-9(8-14)5-6-19-11/h5-7H,3-4,8H2,1-2H3
InChIKey: ADBJZPBDGYLFRT-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C(=CC1=C(C=CS1)CBr)C(=O)OCC
 
Thermal Properties Value Condition Note
Melting Point 58 °C   (1)CAS

Specification

98%

References

  • (1) Dhayalan, Vasudevan; European Journal of Organic Chemistry 2009, (4), P531-546 CAPLUS
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