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CAS 77497-96-2

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Phenylmethyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

Description:
Phenylmethyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate, with the CAS number 77497-96-2, is a chemical compound characterized by its isoquinoline structure, which is a bicyclic compound featuring a benzene ring fused to a pyridine ring. This compound typically exhibits properties associated with isoquinoline derivatives, including potential biological activity, such as analgesic or anti-inflammatory effects. It is a chiral molecule, with the (3S) designation indicating the specific stereochemistry at the 3-position of the tetrahydroisoquinoline moiety. The presence of the phenylmethyl group contributes to its lipophilicity, which may influence its solubility and permeability in biological systems. As with many isoquinoline derivatives, it may also participate in various chemical reactions, including alkylation and acylation, making it of interest in synthetic organic chemistry. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.
Formula:C17H17NO2
InChI:InChI=1/C17H17NO2/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2/t16-/m0/s1
InChI key:InChIKey=CAKWIRNQEKMHOR-INIZCTEOSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)[C@@H]2CC=3C(CN2)=CC=CC3
Synonyms:
  • (S)-Benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (S)-
  • 3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-
  • Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
  • Benzyl-(3S)-1,2,3,4-tetrahydroisochinolin-3-carboxylat
  • Phenylmethyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
  • benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
  • (S)-L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID BENZYL ESTER HYDROCHLORIDE
  • L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID BENZYL ESTER HYDROCHLORIDE
  • phenylmethyl ester,(3S)1,2,3,4-tetrahydro-3-Isoquinolinecarboxylic acid
  • See more synonyms
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