Boc-D-Tic-OH - ≥98% , CAS No.115962-35-1

CAS: 115962-35-1 Cat. No.: B132988 분자식: C₁₅H₁₉NO₄ 분자량: 277.32 EC 번호: 625-175-6

GRADE & PURITY ≥98%

Synonyms

Oprea1_102082 | Z317062676 | (R)-(-)-2-(tertButoxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | (R)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydro-isoquin

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Oprea1_102082 | Z317062676 | (R)-(-)-2-(tertButoxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | (R)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydro-isoquin

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488191121
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191121
• 정식 스마일: CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)O
• IUPAC Name: (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
• InChIKey: HFPVZPNLMJDJFB-GFCCVEGCSA-N
• 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-/m1/s1
• 이성체 SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)O
• WGK 독일: 3
• 분자량: 277.32
• Reaxy-Rn: 3619804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3619804&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Alpha amino acids and derivatives Benzenoids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 분자량: 277.310 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 277.131 Da
• Monoisotopic Mass: 277.131 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 388.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1