tert-butyl (6R)-3-bromo-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate - ≥97% , CAS No.1639881-14-3

CAS: 1639881-14-3 Cat. No.: T630107 Molecular Weight: 316.2 PubChem CID: 118998269

GRADE & PURITY ≥97%

Synonyms

(6R)-5-Boc-3-bromo-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine | (R)-tert-Butyl 3-bromo-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate | tert-Butyl (6R)-3-bromo-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate | 1639881-14-3 | MF

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(6R)-5-Boc-3-bromo-6-methyl-4H, 5H, 6H, 7H-pyrazolo[1, 5-a]pyrazine | (R)-tert-Butyl 3-bromo-6-methyl-6, 7-dihydropyrazolo[1, 5-a]pyrazine-5(4H)-carboxylate | tert-Butyl (6R)-3-bromo-6-methyl-4H, 5H, 6H, 7H-pyrazolo[1, 5-a]pyrazine-5-carboxylate | 1639881-14-3 | MF

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1CN2C(=C(C=N2)Br)CN1C(=O)OC(C)(C)C
• IUPAC Name: tert-butyl (6R)-3-bromo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• InChIKey: KYKJZWMKFYFGHC-MRVPVSSYSA-N
• INCHI: 1S/C12H18BrN3O2/c1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4/h5,8H,6-7H2,1-4H3/t8-/m1/s1
• Isomeric SMILES: C[C@@H]1CN2C(=C(C=N2)Br)CN1C(=O)OC(C)(C)C
• Alternate CAS: 1639881-14-3
• PubChem CID: 118998269
• Molecular Weight: 316.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines
        • Level5 Piperazine carboxylic acids and derivatives
          • Level6 Piperazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Piperazine carboxylic acids and derivatives
• Direct Parent: Piperazine carboxylic acids
• Alternative Parents: Heteroaromatic compounds Carbamate esters Azoles Organic carbonic acids and derivatives Vinyl bromides Hydrazones Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Piperazine-1-carboxylic acid - Heteroaromatic compound - Carbamic acid ester - Azole - Carbonic acid derivative - Azacycle - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
• 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