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30698-64-7 molecular structure
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bis([2-(dimethylamino)ethyl]dimethylamine); bis(chlorocopperol)

ChemBase ID: 139565
Molecular Formular: C12H34Cl2Cu2N4O2
Molecular Mass: 464.42196
Monoisotopic Mass: 462.06507671
SMILES and InChIs

SMILES:
CN(C)CCN(C)C.CN(C)CCN(C)C.O[Cu]Cl.O[Cu]Cl
Canonical SMILES:
CN(CCN(C)C)C.CN(CCN(C)C)C.O[Cu]Cl.O[Cu]Cl
InChI:
InChI=1S/2C6H16N2.2ClH.2Cu.2H2O/c2*1-7(2)5-6-8(3)4;;;;;;/h2*5-6H2,1-4H3;2*1H;;;2*1H2/q;;;;2*+2;;/p-4
InChIKey:
XSGFQMSXIWLPOB-UHFFFAOYSA-J

Cite this record

CBID:139565 http://www.chembase.cn/molecule-139565.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis([2-(dimethylamino)ethyl]dimethylamine); bis(chlorocopperol)
IUPAC Traditional name
bis(chlorocopperol); bis(temed)
Synonyms
Chlorohydroxo(N,N,N′,N′-tetrametylethylenediamine)copper(II)
Copper(II) chloride hydroxide (N,N,N′,N′-tetrametylethylenediamine) Complex Dimer
Cu-TMEDA catalyst
Di-μ-hydroxo-bis(N,N,N′,N′-tetramethylethylenediamine)copper(II) chloride
Di-μ-hydroxo-bis[(N,N,N′.N′-tetramethylethylenediamine)copper(II)] chloride
Cu-TMEDA catalyst
Cu-TMEDA 催化剂
氯化铜(II)氢氧化物 (N,N,N′,N′-四甲基亚乙基二胺)络合物二聚体
氯羟基(N,N,N′,N′-四甲基亚乙基二胺)铜(II)
氯化二羟基-双四甲基亚乙基二胺铜
Cu-TMEDA 催化剂
CAS Number
30698-64-7
MDL Number
MFCD01321163
PubChem SID
24881335
24889684
162233813
PubChem CID
11190467

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11190467 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.377547  LogD (pH = 7.4) -1.7988784 
Log P 0.208814  Molar Refractivity 38.0072 cm3
Polarizability 14.858968 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
131-132 °C(lit.) expand Show data source
138-148 °C 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
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥97.0% (RT) expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C12H34Cl2Cu2N4O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 593192 external link
Packaging
5, 25 g in glass bottle
Application
Catalyst for:
• Asymmetric conjugate addition reactions1
• 1,3-dipolar cycloaddition of pyrazolidinone-based dipoles to terminal alkynes (precatalyst)2
• Oxidative N-arylation of imidazoles3
• Oxidative coupling copolymerization4
• Tandem phosphorous-carbon bond formation-oxyfunctionalization reactions5
• Benzylation and allylation of amides6
Sigma Aldrich - 92677 external link
Other Notes
Efficient catalyst for aerobic oxidative coupling reactions1,2; Catalyst for C-N and C-O bond cross-coupling reactions with vinylboronic acids3,4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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