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8.51088

TOTU

Novabiochem®

Synonym(s):

TOTU, O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,NÆ,NÆ-tetramethyluronium tetrafluoroborate

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About This Item

Empirical Formula (Hill Notation):
C10H17BF4N4O3
CAS Number:
136849-72-4
Molecular Weight:
328.07
UNSPSC Code:
12352116
NACRES:
NA.22
MDL number:
MFCD00192127
Assay:
≥99.0% (HPLC)
Form:
powder
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Quality Segment

200

product line

Novabiochem®

assay

≥99.0% (HPLC)

form

powder

potency

500-650 mg/kg LD50, oral (Rat)

reaction suitability

reaction type: Coupling Reactions

manufacturer/tradename

Novabiochem®

mp

142-148 °C

application(s)

peptide synthesis

storage temp.

2-8°C

SMILES string

[B-](F)(F)(F)F.N([C+](N(C)C)ON=C(C(=O)OCC)C#N)(C)C

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

InChI key

FPQVGDGSRVMNMR-UHFFFAOYSA-N

General description

TOTU is an excellent alternative to HOBt-based coupling reagents such as HBTU and TBTU. It has high reactivity and is likely to have low allergenicity and low explosivity. The by-products of using this coupling reagent are water-soluble, making it an ideal choice for solution phase coupling reactions.

Associated Protocols and Technical Articles
Guide to Selection of Coupling Reagents


Literature references

[1] G. Breipohl & W. Koenig, US patent 5166394.

Analysis Note

Color (visual): white to slight yellow to beige
Appearance of substance (visual): powder
Identity (IR): conforms
Assay (HPLC, area%): ≥ 99.0 % (a/a)
Solubility (1 mmole in 2 ml DMF): clear soluble

Legal Information

Novabiochem is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Sens. 1A - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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