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CAS Number: 77497-96-2
(S)-benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

Structure

(S)-benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
Name: (S)-benzyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
Synonyms:
General Information
Product Number: 77497962
CAS Number:
77497-96-2
Name:
3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-
Formula:
C17H17NO2.HCl
Molecular Weight:
303.78
Synonyms:
3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (S)-;Benzyl(3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate;Benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride;(S)-L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylicacidbenzylesterHCl;
InChI: InChI=1S/C17H17NO2.ClH/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;1H/t16-;/m0./s1
InChIKey: HYKDEPCVBMNYCM-NTISSMGPSA-N
Canonical SMILES : C1C(NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3.Cl
 
Optical and Scattering Properties Value Condition Note
Optical Rotatory Power -88.3 ° Conc: 1.20 g/100mL; Solv: methanol (67-56-1); Temp: 19 °C (1)IC

Specification

98%

References

Indian Pat. Appl. (2006), IN 2004MU01320 A 20060721.

PCT Int. Appl. (2005), WO2005010028 A1 20050203.

PCT Int. Appl. (1998), WO9818763 A1 19980507. 

 

  1. (1) Hayashi, Kimiaki; Chemical & Pharmaceutical Bulletin 1983, V31(1), P312-14 CAPLUS
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