1H-Indole-1-carboxylic acid, 2,3-dihydro-, 1,1-dimethylethyl ester


Chemical Name: 1H-Indole-1-carboxylic acid, 2,3-dihydro-, 1,1-dimethylethyl ester
CAS Number: 143262-10-6
Product Number: AG003E2B(AGN-PC-0KY7Q4)
Synonyms:
MDL No:
Molecular Formula: C13H17NO2
Molecular Weight: 219.2796

Identification/Properties


Properties
MP:
46-50℃(lit.)
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
219.284g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
219.126g/mol
Monoisotopic Mass:
219.126g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
270
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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NMR Spectrum


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Chemical Structure



Tert-Butyl indoline-1-carboxylate is a versatile compound that finds wide applications in chemical synthesis. As a key building block in organic chemistry, this compound serves as a valuable intermediate in the preparation of various complex molecules. Due to its unique structural features and reactivity, tert-Butyl indoline-1-carboxylate is particularly useful in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its presence enables the efficient construction of diverse molecular frameworks, contributing to the development of novel compounds with potential therapeutic or functional properties. By incorporating tert-Butyl indoline-1-carboxylate into synthetic routes, chemists can access a range of substitution patterns and stereochemistries, leading to the creation of structurally diverse and biologically active molecules. This compound's utility in chemical synthesis highlights its importance as a valuable tool for organic chemists aiming to access new compounds and advance the field of medicinal chemistry.