Home > Compound List > Compound details
150971-45-2 molecular structure
click picture or here to close

(2-{2-[bis(propan-2-yl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(propan-2-yl)phosphane

ChemBase ID: 141535
Molecular Formular: C26H40O2P2
Molecular Mass: 446.542122
Monoisotopic Mass: 446.25035378
SMILES and InChIs

SMILES:
CC(C)P(c1cccc(c1c1c(cccc1P(C(C)C)C(C)C)OC)OC)C(C)C
Canonical SMILES:
COc1cccc(c1c1c(OC)cccc1P(C(C)C)C(C)C)P(C(C)C)C(C)C
InChI:
InChI=1S/C26H40O2P2/c1-17(2)29(18(3)4)23-15-11-13-21(27-9)25(23)26-22(28-10)14-12-16-24(26)30(19(5)6)20(7)8/h11-20H,1-10H3
InChIKey:
HLLUWVKDDQIKNF-UHFFFAOYSA-N

Cite this record

CBID:141535 http://www.chembase.cn/molecule-141535.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-{2-[bis(propan-2-yl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(propan-2-yl)phosphane
IUPAC Traditional name
{2-[2-(diisopropylphosphanyl)-6-methoxyphenyl]-3-methoxyphenyl}diisopropylphosphane
Synonyms
(R)-iPr-MeOBIPHEP
SL-A116-1
(R)-2,2′-Bis(diisopropylphosphino)-6,6′-dimethoxy-1,1′-biphenyl
(R)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis(diisopropylphosphine)
(S)-iPr-MeOBIPHEP
SL-A116-2
(S)-2,2′-Bis(diisopropylphosphino)-6,6′-dimethoxy-1,1′-biphenyl
(S)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis(diisopropylphosphine)
(R)-2,2′-双(二异丙基膦)-6,6′-二甲氧-1,1′-联苯
(R)-(6,6′-二甲氧联苯-2,2′-二基)双(二异丙基膦)
(S)-2,2′-双(二异丙基膦)-6,6′-二甲氧-1,1′-联苯
(S)-(6,6′-二甲氧联苯-2,2′-二基)双(二异丙基膦)
CAS Number
150971-45-2
150971-43-0
MDL Number
MFCD09753011
PubChem SID
162235769
PubChem CID
15823035

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15823035 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.82459  LogD (pH = 7.4) 6.064211 
Log P 6.0712  Molar Refractivity 132.6128 cm3
Polarizability 53.92198 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)
C26H40O2P2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 29519 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 - 29518 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle