中文版English

CAS Number: 78879-20-6
(S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Structure

(S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Name: (S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Synonyms:
General Information
Product Number: 78879206
CAS Number:
78879-20-6
Name:
2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester, (3S)-
Formula:
C15H19NO4
Molecular Weight:
277.32
Synonyms:
(3S)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;(S)-N-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;2-tert-Butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3(S)-carboxylic acid;N-tert-Butoxycarbonyl-L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;
InChI: InChI=1S/C15H19NO4/c1-15(2,
3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,
(H,17,18)/t12-/m0/s1
InChIKey: HFPVZPNLMJDJFB-LBPRGKRZSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)O
Deleted CAS Registry Numbers: 1260015-67-5
 
 
Optical and Scattering Properties Value Condition Note
Optical Rotatory Power +17.6 ° Conc: 1.00 g/100mL; Solv: methanol (67-56-1); Temp: 20 °C (6)IC
Optical Rotatory Power -6.78 ° Conc: 1.0 g/100mL; Solv: methanol (67-56-1); Wavlen: 589.3 nm; Temp: 20 °C (3)CAS
Optical Rotatory Power -6.78 ° Conc: 1.0 g/100mL; Solv: methanol (67-56-1); Wavlen: 589.3 nm; Temp: 20 °C (2)CAS
Optical Rotatory Power See full text  

(1)CAS

 

Thermal Properties Value Condition Note
Melting Point 126 °C   (1)CAS
Melting Point 110-112 °C   (4)CAS

 

Specification

98%

References

PCT Int. Appl. (2013), WO2013033310 A1 20130307

 

  1. (1) Toselli, Nicolas; Tetrahedron: Asymmetry 2010, V21(9-10), P1238-1245 CAPLUS
  2. (2) Wang, Hong; Bioorganic & Medicinal Chemistry 2011, V19(2), P871-882 CAPLUS
  3. (3) Cheng, Shenling; European Journal of Medicinal Chemistry 2009, V44(12), P4904-4919 CAPLUS
  4. (4) Charton, Julie; Tetrahedron Letters 2004, V45(38), P7081-7085 CAPLUS
  5. (5) Zhang, Xiao-Pan; Bioorganic & Medicinal Chemistry 2011, V19(20), P6015-6025 CAPLUS
  6. (6) Hruby, Victor J.; Collection of Czechoslovak Chemical Communications 1988, V53(11A), P2549-73 CAPLUS
Contact Us
TEL:  86-17758012822
FAX:  86-571-87759731
E-mail:sales@hzchempro.com
[ CLOSE ]