Home > Compound List > Compound details
309735-86-2 molecular structure
click picture or here to close

bis((1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane) bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine chloride hydrochloride

ChemBase ID: 141014
Molecular Formular: C98H88Cl5NP4Ru2
Molecular Mass: 1783.054064
Monoisotopic Mass: 1781.23968474
SMILES and InChIs

SMILES:
Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccc(cc1)C)c1ccc(cc1)C.Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccc(cc1)C)c1ccc(cc1)C.CNC.Cl.[Cl-].[Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2
Canonical SMILES:
[Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2.Cc1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccc(cc1)C)c1ccc(cc1)C)cccc2)c1ccc(cc1)C.Cc1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccc(cc1)C)c1ccc(cc1)C)cccc2)c1ccc(cc1)C.CNC.Cl.[Cl-]
InChI:
InChI=1S/2C48H40P2.C2H7N.2ClH.3Cl.2Ru/c2*1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-3-2;;;;;;;/h2*5-32H,1-4H3;3H,1-2H3;2*1H;;;;;/q;;;;;3*+1;2*-1/p-1
InChIKey:
QGBBTZBFEYSGDQ-UHFFFAOYSA-M

Cite this record

CBID:141014 http://www.chembase.cn/molecule-141014.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis((1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane) bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine chloride hydrochloride
IUPAC Traditional name
bis((1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane) bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine chloride hydrochloride
Synonyms
Dimethylammonium dichlorotri(μ-chloro)bis[(R)-(+)-2,2′-bis(di-p-tolylphosphino)-1,1′-binaphthyl]diruthenate(II)
(R)-[(RuCl(T-BINAP))2(μ-Cl)3[NH2Me2]
Dimethylammonium dichlorotri(μ-chloro)bis[(S)-(-)-2,2′-bis(di-p-tolylphosphino)-1,1′-binaphthyl]diruthenate(II)
(S)-[(RuCl(T-BINAP))2(μ-Cl)3[NH2Me2]
二甲铵二氯三(μ-氯)双[(R)-(+)-2,2′-双(二-对甲苯基膦)-1,1′-联萘基]二钌酸盐(II)
二甲铵二氯三(μ-氯)双[(S)-(-)-2,2′-双(二-对甲苯基膦)-1,1′-联萘基]二钌酸盐(II)
(S)-[(RuCl (T-BINAP))2(μ-Cl)3[NH2Me2]
CAS Number
309735-86-2
749935-02-2
MDL Number
MFCD09753034
PubChem SID
162235250
PubChem CID
71310554

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71310554 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 13.7242  LogD (pH = 7.4) 13.7242 
Log P 13.7242  Molar Refractivity 215.3892 cm3
Polarizability 87.70807 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1325 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
11 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H228 expand Show data source
GHS Precautionary statements
P210 expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1325 4.1/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Linear Formula
(CH3)2NH2+[C96H80Cl5P4Ru2]- expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 692441 external link
Packaging
100, 500 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only.
Application
Takasago Ligands and Complexes for Asymmetric Reactions
Sigma Aldrich - 693146 external link
Packaging
100, 500 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only.
Application
Takasago Ligands and Complexes for Asymmetric Reactions

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