(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a'']dinaphthalen-4-yl)morpholine - ≥96%,≥99%(ee) , CAS No.185449-81-4

CAS: 185449-81-4 Cat. No.: S281989 Peso molecular: 401.41 PubChem CID: 11704056

Synonyms

(R)-4-(DINAPHTHO[2,1-D:1',2'-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)MORPHOLINE | E78668 | SCHEMBL15422409 | F52256 | 4-[(11bR)-Dinaphtho[2,1-d:1 inverted exclamation mark ,2 inverted exclamation mark -f][1,3,2]dioxaphosphepin-4-yl]morpholine | (S)-(+)-(3,5-Dioxa-4

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

(R)-4-(DINAPHTHO[2, 1-D:1', 2'-F][1, 3, 2]DIOXAPHOSPHEPIN-4-YL)MORPHOLINE | E78668 | SCHEMBL15422409 | F52256 | 4-[(11bR)-Dinaphtho[2, 1-d:1 inverted exclamation mark , 2 inverted exclamation mark -f][1, 3, 2]dioxaphosphepin-4-yl]morpholine | (S)-(+)-(3, 5-Dioxa-4

Especificaciones y pureza

≥96%, ≥99%(ee)

Información jurídica

Sold in collaboration with DSM for research purposes only. Patent WO 0204466. DSM''s MonoPhos™ Ligand Kit component.", 'Stability:': 'moisture sensitive

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 488197671
• Sonrisas canónicas: C1COCCN1P2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65
• IUPAC Name: 4-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)morpholine
• InChIKey: XUJAXBFFTHRXLV-UHFFFAOYSA-N
• INCHI: 1S/C24H20NO3P/c1-3-7-19-17(5-1)9-11-21-23(19)24-20-8-4-2-6-18(20)10-12-22(24)28-29(27-21)25-13-15-26-16-14-25/h1-12H,13-16H2
• Isómeros SMILES: C1COCCN1P2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65
• PubChem CID: 11704056
• Peso molecular: 401.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Morpholines Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Morpholine - Oxazinane - Heteroaromatic compound - Dialkyl ether - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Sensibilidad: moisture sensitive
• Peso molecular: 401.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 401.118 Da
• Monoisotopic Mass: 401.118 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 530.000
• 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