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133545-25-2 molecular structure
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(2-{2-[bis(4-methylphenyl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(4-methylphenyl)phosphane

ChemBase ID: 140510
Molecular Formular: C42H40O2P2
Molecular Mass: 638.713322
Monoisotopic Mass: 638.25035378
SMILES and InChIs

SMILES:
Cc1ccc(cc1)P(c1ccc(cc1)C)c1cccc(c1c1c(cccc1P(c1ccc(cc1)C)c1ccc(cc1)C)OC)OC
Canonical SMILES:
COc1cccc(c1c1c(OC)cccc1P(c1ccc(cc1)C)c1ccc(cc1)C)P(c1ccc(cc1)C)c1ccc(cc1)C
InChI:
InChI=1S/C42H40O2P2/c1-29-13-21-33(22-14-29)45(34-23-15-30(2)16-24-34)39-11-7-9-37(43-5)41(39)42-38(44-6)10-8-12-40(42)46(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36/h7-28H,1-6H3
InChIKey:
DTMVLPFJTUJZAY-UHFFFAOYSA-N

Cite this record

CBID:140510 http://www.chembase.cn/molecule-140510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-{2-[bis(4-methylphenyl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(4-methylphenyl)phosphane
IUPAC Traditional name
(2-{2-[bis(4-methylphenyl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(4-methylphenyl)phosphane
Synonyms
(R)-p-Tol-MeOBIPHEP
SL-A102-1
(R)-2,2′-Bis(di-p-tolylphosphino)-6,6′-dimethoxy-1,1′-biphenyl
(R)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis[bis(4-methylphenyl)phosphine]
(S)-p-Tol-MeOBIPHEP
SL-A102-2
(S)-2,2′-Bis(di-p-tolylphosphino)-6,6′-dimethoxy-1,1′-biphenyl
(S)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis[bis(4-methylphenyl)phosphine]
(R)-2,2′-双(二-对甲苯基膦)-6,6′-二甲氧基-1,1′-联苯
(R)-(6,6′-二甲氧基联苯-2,2′-二基)二[双(4-甲基苯基)膦]
(S)-2,2′-双(二-对甲苯基膦)-6,6′-二甲氧基-1,1′-联苯
(S)-(6,6′-二甲氧基联苯-2,2′-二基)二[双(4-甲基苯基)膦]
CAS Number
133545-25-2
133545-24-1
MDL Number
MFCD09753006
PubChem SID
162234754
PubChem CID
22173705

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22173705 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.2144  LogD (pH = 7.4) 11.2144 
Log P 11.2144  Molar Refractivity 195.4152 cm3
Polarizability 77.355354 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
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
≥97% expand Show data source
Optical Purity
ee: ≥99% expand Show data source
Empirical Formula (Hill Notation)
C42H40O2P2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 29521 external link
General description
sold in collaboration with Solvias AG
Packaging
1, 5 g in glass bottle
100, 500 mg in glass bottle
Application
Atropisomeric MeOBIPHEP ligands
Sigma Aldrich - 29520 external link
General description
sold in collaboration with Solvias AG
Packaging
1, 5 g in glass bottle
100, 500 mg in glass bottle
Application
Atropisomeric MeOBIPHEP ligands

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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