(1S,2S)-trans-N-Boc-2-aminocyclopentanol - ≥98% , CAS No.145106-43-0

CAS: 145106-43-0 Cat. No.: I167325 Molecular Weight: 201.26 Beilstein Registry Number: 5810040 EC Number: 624-508-2

GRADE & PURITY ≥98%

Synonyms

trans-(2-Hydroxy-cyclopentyl)-carbamic acid tert-butyl ester | MFCD11656038 | t-Butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate | EN300-60738 | P17090 | AMY1204 | Carbamic acid, N-[(1S,2S)-2-hydroxycyclopentyl]-, 1,1-dimethylethyl ester | tert-Butyl((1S,2

Storage

Room temperature

Shipped In

Normal

Overview

Reactant for:
Asymmetric synthesis of constrained (-)-S-adenosyl-L-homocysteine (SAH) analogs as DNA methyltransferase inhibitors via stereoselective thioesterification, thioetherification, hydrolysis, heterocyclization and amination

Specifications

Synonyms

trans-(2-Hydroxy-cyclopentyl)-carbamic acid tert-butyl ester | MFCD11656038 | t-Butyl N-[(1S, 2S)-2-hydroxycyclopentyl]carbamate | EN300-60738 | P17090 | AMY1204 | Carbamic acid, N-[(1S, 2S)-2-hydroxycyclopentyl]-, 1, 1-dimethylethyl ester | tert-Butyl((1S, 2

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196536
• Canonical Smiles: CC(C)(C)OC(=O)NC1CCCC1O
• IUPAC Name: tert-butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
• InChIKey: CGZQRJSADXRRKN-YUMQZZPRSA-N
• INCHI: 1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1O
• WGK Germany: 3
• Molecular Weight: 201.26
• Beilstein: 5810040
• Reaxy-Rn: 13768076
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13768076&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopentanol - Carbamic acid ester - Cyclic alcohol - Carbonic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol group.
• 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

Chemical and Physical Properties

• Molecular Weight: 201.260 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.136 Da
• Monoisotopic Mass: 201.136 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 210.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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