2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- (130309-33-0),2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- (130309-33-0) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)-
Superlist Name:
N-Fmoc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
CAS No.:
130309-33-0
Molecular Structure:
Formula:
C₂₅H₂₁NO₄
Molecular Weight:
399.44
Synonyms:
2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (R)-;N-Fmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;Fmoc-D-Tic-OH;
Density:
1.324 g/cm³
Melting Point:
160-164 °C
Boiling Point:
629.9 °C at 760 mmHg
Flash Point:
334.7 °C
Appearance:
white crystalline powder
Hazard Symbols:
Xi
Safety Description:
24/25 Details

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Chemistry

IUPAC Name: (3R)-2-(9H-Fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
Following is the structure of 2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- (CAS NO.130309-33-0):

Empirical Formula: C₂₅H₂₁NO₄
Molecular Weight: 399.4385 g/mol
Molar Refractivity: 110.85 cm³
Molar Volume: 301.5 cm³
Density: 1.324 g/cm³
Flash Point: 334.7 °C
Melting point 160-164 °C
Index of Refraction: 1.656
Surface Tension: 59.4 dyne/cm
Enthalpy of Vaporization: 97.94 kJ/mol
Boiling Point: 629.9 °C at 760 mmHg
Vapour Pressure: 9.86E-17 mmHg at 25 °C
Product Categories of 2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- (CAS NO.130309-33-0): chiral; Amino Acids; a-amino
Appearance of 2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- (CAS NO.130309-33-0): white crystalline powder
Canonical SMILES: C1C(N(CC2=CC=CC=C21)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)[O-]
Isomeric SMILES: C1[C@@H](N(CC2=CC=CC=C21)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)[O-]
InChI: InChI=1S/C25H21NO4/c27-24(28)23-13-16-7-1-2-8-17(16)14-26(23)25(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13-15H2,(H,27,28)/p-1/t23-/m1/s1
InChIKey: LIRBCUNCXDZOOU-HSZRJFAPSA-M

Toxicity Data With Reference

2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- (CAS NO.130309-33-0) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

Safety Profile

Hazard Codes: Xi
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes. S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
HazardClass: IRRITANT

Specification

2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- , its cas register number is 130309-33-0. It also can be called (3R)-2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid ; (3R)-2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid ; and 2,3(1H)-isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- . When 2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)- (CAS NO.130309-33-0) broken down, its hazardous decomposition products are carbon monoxide and carbon dioxide.