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(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)bis[(1S)-1-phenylethyl]amine. - ≥97%, high purity

≥97%

CAS#: 380230-02-4
Molecular Weight: 539.6
MDL number: MFCD04117688
PubChem CID: 11731247

In stock

Item Number

S138768

Grouped product items
SKU	Size	Availability	Price	Qty
S138768-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$171.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	The product may be used as a ligand in: . Iridium-catalyzed allylic etherification of acyclic, achiral allylic carbonates with potassium silanolates to form chiral allylic alcohols. . Palladium-catalyzed asymmetric allylic cyclisation of N-tosyl and N-benzyl carbonates to form the corresponding pyrrolidine and piperidine derivatives, respectively. . Intramolecular iridium-catalyzed allylic cyclizationof (E)-allylic methyl carbonates to form 2,5-trans/cis pyrrolidine derivatives.

Names and Identifiers

IUPAC Name	N,N-bis[(1S)-1-phenylethyl]-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-amine
INCHI	InChI=1S/C36H30NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-26H,1-2H3/t25-,26-/m0/s1
InChi Key	LKZPDRCMCSBQFN-UIOOFZCWSA-N
Canonical SMILES	CC(C1=CC=CC=C1)N(C(C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76
Isomeric SMILES	C[C@@H](C1=CC=CC=C1)N([C@@H](C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76
WGK Germany	3
PubChem CID	11731247
Molecular Weight	539.6

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Lot Number	Certificate Type	Date	Item
C1812090	Certificate of Analysis	Aug 14, 2023	S138768

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Molecular Weight	539.600 g/mol
XLogP3	9.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	539.201 Da
Monoisotopic Mass	539.201 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	747.000
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

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(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)bis[(1S)-1-phenylethyl]amine. - ≥97%, high purity

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