TOTU | CAS No. 136849-72-4

TOTU

Basic Information

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CAS Number

136849-72-4

Molecular Formula

C10H17BF4N4O3

Molecular Weight

328.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

Melting Point

144-145 °C<br />145 °C (dec.)

SMILES

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[B-](F)(F)(F)F.CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N

InChI

InChI=1S/C10H17N4O3.BF4/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;2-1(3,4)5/h6H2,1-5H3;/q+1;-1

InChIKey

FPQVGDGSRVMNMR-UHFFFAOYSA-N

LogP

0.93538

Complexity

392

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

[(cyano(ethoxycarbonyl)methylidene)amino]-1,1,3,3,-tetramethyluronium tetrafluoroborate
o-((cyano(ethoxycarbonyl)methylene)amino)-1,1,3,3-tetramethyluronium tetrafluoroborate
FPQVGDGSRVMNMR-UHFFFAOYSA-N
E0916
O-((cyano-(ethoxycarbonyl)-methylidene)amino)-1,1,3,3-tetramethylu ronium tetrafluoroborate
O-[(ethoxycarbonyl)-cyanomethylenamino]-N,N, N',N'-tetramethyluronium tetrafluoroborate
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N inverted exclamation mark ,N inverted exclamation mark -tetramethyluronium Tetrafluoroborate
O-[(cyano(ethoxycarbonyl)methylene)amino]-1,1,3,3-tetramethyluronium tetrafluoroborate
(Z)-N-(6-cyano-2-methyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-ylidene)-N-methylmethanaminium tetrafluoroborate
SCHEMBL120244
N-[[[(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxy](dimethylamino)methylene]-N-methyl-methanaminium tetrafluoroborate
o-[(ethoxycarbonyl)cyanomethyleneamino]-n,n,n',n'-tetramethyluronium tetrafluoroborate
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate
AKOS024386580
O-((cyano-(ethoxycarbonyl)-methylidene)amino)-1,1,3,3-tetramethyluronium tetrafluoroborate
136849-72-4
O-[(cyano-(ethoxycarbonyl)methylene)amino]-1,1,3,3-tetramethyluronium tetrafluoroborate
SY019065
[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate
AC-24886
o-[(ethoxycarbonyl)cyanomethylenamino] n,n,n',n'-tetramethyluronium tetrafluoroborate
O-[(cyano(ethoxycarbonyl)methylene)amino]1,1,3,3-tetramethyluronium tetrafluoroborate
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetra methyluroniumtetrafluoroborate
O-[(ethoxycarbonyl)-cyanomethylenamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate
O-[(ethoxycarbonyl)-cyanomethyleneamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate
O-(cyano(ethoxycarbonyl)methyleneamino)-N,N,N',N'-tetramethyluronium tetrafluoroborate
O-[(cyano(ethoxycarbonyl)methylidene)amino]-1,1,3,3-tetramethyluronium tetrafluoroborate
O-[(ethoxycarbonyl)cyano-methyleneamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate
o-((ethoxycarbonyl)cyanomethyleneamino)-n,n,n',n'-tetramethyluronium tetrafluoroborate
TOTU
O-[(ETHOXYCARBONYL)CYANOMETHYLENAMINO]-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE

MDL Number

MFCD00192127

FAQ

What are the physical and chemical properties of TOTU (CAS: 136849-72-4)?

TOTU (CAS: 136849-72-4) is a white crystalline solid with a molecular weight of approximately 318.19 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and acetonitrile. TOTU is known to be a highly reactive compound, readily forming adducts with nucleophiles and is used in organic synthesis due to its reactivity.

How is TOTU (CAS: 136849-72-4) typically synthesized?

TOTU (CAS: 136849-72-4) is synthesized through the alkylation of an appropriate thioester with an organometallic reagent like lithium diisopropylamide (LDA) in an anhydrous solvent like tetrahydrofuran (THF). The reaction typically requires a mild base and is carried out at low temperature to achieve high selectivity and yield.

What industries use TOTU (CAS: 136849-72-4)?

TOTU (CAS: 136849-72-4) is primarily used in the pharmaceutical industry for the synthesis of biologically active molecules. It is also utilized in the polymer industry for the preparation of specialized polymers and in the sensor and semiconductor industries for the development of sensing materials and components.

What precautions should be taken when handling TOTU (CAS: 136849-72-4)?

When handling TOTU (CAS: 136849-72-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its reactivity. Spills should be cleaned up immediately with appropriate absorbent materials and proper disposal methods. Always consult a Safety Data Sheet (SDS) for detailed handling instructions and emergency measures.