(S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine - ≥98% , CAS No.389130-06-7

CAS: 389130-06-7 Cat. No.: O386459 Molecular Weight: 367.42

GRADE & PURITY ≥98%

Synonyms

SC11378 | (11BR)-N,N-DIMETHYL-8,9,10,11,12,13,14,15-OCTAHYDRODINAPHTHO[2,1-D:1',2'-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE | (S)-(+)-(8,9,10,11,12,13,14,15-Octahydro-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine | N,N-Dimethyl-12,14

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Application：

(11bS)-N,N-dimethyl-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine is a monodentate phosphoramidite (MonoPhos) chiral ligand that can be used: In the Cu-catalyzed synthesis of chiral 3-(arylbut-1-yn-1-yl)silane derivatives by reacting N-tosylhydrazones with silyl-substituted alkynes via asymmetric insertion. In the Rh-catalyzed asymmetric hydrogenation of R-isopropylcinnamic acid derivative, a key intermediate of renin inhibitor aliskiren. In the Rh-catalyzed conjugate addition of arylboronic acids to lactones, enones, and nitroalkenes.

Specifications

Synonyms

SC11378 | (11BR)-N, N-DIMETHYL-8, 9, 10, 11, 12, 13, 14, 15-OCTAHYDRODINAPHTHO[2, 1-D:1', 2'-F][1, 3, 2]DIOXAPHOSPHEPIN-4-AMINE | (S)-(+)-(8, 9, 10, 11, 12, 13, 14, 15-Octahydro-3, 5-dioxa-4-phospha-cyclohepta[2, 1-a;3, 4-a']dinaphthalen-4-yl)dimethylamine | N, N-Dimethyl-12, 14

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766467
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766467
• Canonical Smiles: CN(C)P1OC2=C(C3=C(CCCC3)C=C2)C4=C(O1)C=CC5=C4CCCC5
• IUPAC Name: N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-amine
• InChIKey: OIZQADYWBXZQKE-UHFFFAOYSA-N
• INCHI: 1S/C22H26NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h11-14H,3-10H2,1-2H3
• Isomeric SMILES: CN(C)P1OC2=C(C3=C(CCCC3)C=C2)C4=C(O1)C=CC5=C4CCCC5
• WGK Germany: 3
• Molecular Weight: 367.42
• Reaxy-Rn: 19238686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19238686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetralin - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

• Sensitivity: Moisture sensitive
• Specific Rotation[α]: 272.0 - 292.0 deg
• Melt Point(°C): 86-94 °C
• Molecular Weight: 367.400 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 367.17 Da
• Monoisotopic Mass: 367.17 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 461.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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