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134484-36-9 molecular structure
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[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]diphenylphosphane

ChemBase ID: 141629
Molecular Formular: C33H25OP
Molecular Mass: 468.524761
Monoisotopic Mass: 468.16430205
SMILES and InChIs

SMILES:
COc1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1
Canonical SMILES:
COc1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2
InChI:
InChI=1S/C33H25OP/c1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3
InChIKey:
KRWTWSSMURUMDE-UHFFFAOYSA-N

Cite this record

CBID:141629 http://www.chembase.cn/molecule-141629.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]diphenylphosphane
IUPAC Traditional name
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]diphenylphosphane
Synonyms
(R)-(+)-2-(Diphenylphosphino)-2′-methoxy-1,1′-binaphthyl
R-MOP
(S)-(2'-Methoxy-[1,1'-binaphthalen]-2-yl)diphenylphosphine
(R)-(2'-Methoxy-[1,1'-binaphthalen]-2-yl)diphenylphosphine
(R)-(+)-2-(二苯基膦)-2′-甲氧基-1,1′-联萘
CAS Number
134484-36-9
145964-33-6
MDL Number
MFCD00269686
PubChem SID
162235863
PubChem CID
4190002

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4190002 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.5427  LogD (pH = 7.4) 8.5427 
Log P 8.5427  Molar Refractivity 146.1227 cm3
Polarizability 61.167408 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Optical Rotation
[α]20/D +94°, c = 0.5 in chloroform expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥94% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C33H25OP expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 693537 external link
Application
Takasago Ligands and Complexes for Asymmetric ReactionsLigand used in palladium-catalyzed asymmetric hydrosilylation of olefins1,2, palladium-catalyzed reduction of allylic esters3, rhodium-catalyzed asymmetric addition reactions4,5, and asymmetric amination reactions catalyzed by copper(I) complexes6.
Packaging
50, 100 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only. US5231202

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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