(R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Base Information

• Chemical Name: (R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• CAS No.: 214630-00-9
• Molecular Formula: C15H19NO5
• Molecular Weight: 293.32
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID90426775
• Nikkaji Number: J2.573.465C
• Wikidata: Q72510232
• Mol file: 214630-00-9.mol

Synonyms:214630-00-9;(R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;BOC-7-HYDROXY-D-TIC-OH;(R)-7-Hydroxy-2-Boc-3,4-dihydro-isoquinoline-3-carboxylic acid;Boc-(3R)-1,2,3,4-tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid;(3R)-7-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;Boc-D-Tic(7-OH)-OH;(3r)-2-(tert-butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;Boc-D-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid;SCHEMBL6508024;DTXSID90426775;Boc-7-hydroxy-(R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;MFCD00792389;AKOS016843578;CS-W006404;n-t-butyloxycarbonyl-7-hydroxy-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;AC-22002;DS-15896;EN300-7375392;A879082;J-014083;(3R)-2-[(tert-butoxy)carbonyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;(R)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydro-7-hydroxyisoquinoline-3-carboxylic acid;(3R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3beta-carboxylic acid

Chemical Property of (R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Chemical Property:

• Refractive Index: 1.561
• Boiling Point: 484.716 °C at 760 mmHg
• PKA: 2.91±0.20(Predicted)
• Flash Point: 246.948 °C
• PSA: 87.07000
• Density: 1.274g/cm³
• LogP: 2.07650
• Storage Temp.: -15°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 293.12632271
• Heavy Atom Count: 21
• Complexity: 417

Purity/Quality:

98%,99%, ^*data from raw suppliers

Boc-7-Hydroxy-D-tic-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC2=C(C[C@@H]1C(=O)O)C=CC(=C2)O
• Uses: Boc-7-Hydroxy-D-tic-OH is an intermediate used to prepare highly potent and selective opioid κ receptor antagonists.