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CAS 65619-21-8

:

1,7-Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate

Description:
1,7-Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate, with the CAS number 65619-21-8, is an organic compound characterized by its complex structure, which includes a heptanedioate backbone with two methyl groups and a cyano group. The presence of a 3-chlorophenyl substituent adds to its aromatic character, influencing its chemical reactivity and potential applications. This compound is likely to exhibit moderate polarity due to the presence of both polar (cyano and carboxylate) and nonpolar (alkyl and aromatic) functional groups. It may be soluble in organic solvents while showing limited solubility in water. The cyano group can impart biological activity, making this compound of interest in pharmaceutical and agrochemical research. Additionally, the chlorophenyl moiety may enhance its interaction with biological targets. As with many organic compounds, safety data should be consulted to understand its toxicity and handling requirements. Overall, this compound's unique structure suggests potential utility in various chemical applications, including synthesis and research.
Formula:C16H18ClNO4
InChI:InChI=1S/C16H18ClNO4/c1-21-14(19)6-8-16(11-18,9-7-15(20)22-2)12-4-3-5-13(17)10-12/h3-5,10H,6-9H2,1-2H3
InChI key:InChIKey=NALQEAVLMLLZJN-UHFFFAOYSA-N
SMILES:C(CCC(OC)=O)(CCC(OC)=O)(C#N)C1=CC(Cl)=CC=C1
Synonyms:
  • 4-(3-Chlorophenyl)-4-cyanoheptanedioic acid dimethyl ester
  • 1,7-Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate
  • Heptanedioic acid, 4-(3-chlorophenyl)-4-cyano-, 1,7-dimethyl ester
  • Heptanedioic acid, 4-(3-chlorophenyl)-4-cyano-, dimethyl ester
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