1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester


Chemical Name: 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester
CAS Number: 14028-68-3
Product Number: AG001C84(AGN-PC-0N97A1)
Synonyms:
MDL No:
Molecular Formula: C15H21NO4
Molecular Weight: 279.3315

Identification/Properties


Computed Properties
Molecular Weight:
279.336g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
279.147g/mol
Monoisotopic Mass:
279.147g/mol
Topological Polar Surface Area:
56.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
323
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate is a versatile compound widely utilized in chemical synthesis due to its unique structural features and reactivity. This compound serves as a key building block in the creation of various complex organic molecules, making it a valuable tool in the field of organic chemistry.In chemical synthesis, Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate can be employed for the preparation of diverse pharmaceutical intermediates, agrochemicals, and other fine chemicals. Its structural properties allow for selective functionalization at different positions within the molecule, enabling the synthesis of a range of target compounds with tailored properties and functionalities.Furthermore, the presence of the ethyl ester group in Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate provides opportunities for further derivatization, facilitating the modification and optimization of its chemical properties for specific applications. This compound's role in chemical synthesis highlights its significance as a versatile and essential component in the creation of novel molecules with diverse industrial and research applications.