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Cas Database

Name	Benzotriazol-1-yl-tetramethyluronium tetrafluoroborate	EINECS	423-040-4
CAS No.	125700-67-6	Density	N/A
PSA	46.19000	LogP	1.34960
Solubility	acetonitrile: 0.1 g/mL, clear	Melting Point	205°C (dec.)(lit.)
Formula	C₁₁H₁₆N₅O^.BF₄	Boiling Point	N/A
Molecular Weight	321.086	Flash Point	STABILITY
Transport Information	N/A	Appearance	white or off-white crystalline powder
Safety	26-36-37/39-36/37/39	Risk Codes	36/37/38-5
Molecular Structure		Hazard Symbols	Xi,F
Synonyms	(1H-Benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate;Btttfb;Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, tetrafluoroborate(1-);O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate;	Article Data	5

Benzotriazol-1-yl-tetramethyluronium tetrafluoroborate Synthetic route

: 150-75-4
N-methyl-p-aminophenol

: 164646-22-4
(R)-N2-[(4-amino-3,5-dichlorophenyl)sulphonyl]-N5-[amino(nitroimino)methyl]-ornithine

: 7087-68-5
N-ethyl-N,N-diisopropylamine

: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

Conditions

Conditions	Yield
	58%

H-D-Arg(NO2)-OH: H-D-Arg(NO2)-OH

: 164648-71-9
(R)-N5-[amino(nitroimino)methyl]-N2-[(2-naphthyl)carbonyl]-ornithine

: 2243-83-6
2-naphthaloyl chloride

A: 164647-69-2
(R)-N5-[Amino(nitroimino)methyl]-N-[(4-hydroxyphenyl)-methyl]-N2-(2-naphthoyl)-ornithinamide

B: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

Conditions

Conditions	Yield
	A n/a B 36%

: 1871-76-7
diphenylacetic acid chloride

A: 164644-76-2
(R,S)-N5-(Aminocarbonyl)-N2-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-ornithinamide

B: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

Conditions

Conditions	Yield
	A n/a B 34%

: 56043-45-9, 13829-06-6
N,N,N',N'-tetramethylchlorformamidinium chloride

: 62244-77-3
1-Hydroxy-1,2,3-benzotriazole potassium salt

: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

Conditions

Conditions	Yield
With potassium chloride; potassium tetrafluoroborate

: 632-22-4
tetramethylurea

: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: oxalyl chloride 2: KBF4,KCl View Scheme

: 108-30-5
succinic acid anhydride

A: Mannose amine

B: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

Conditions

Conditions	Yield
With dmap; benzotriazol-1-ol In ethyl acetate; N,N-dimethyl-formamide

: 123-75-1
pyrrolidine

: 68837-59-2
4-bromo-2-methylbenzoic acid

: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

: 7087-68-5
N-ethyl-N,N-diisopropylamine

: 276678-35-4
(4-bromo-2-methylphenyl)(pyrrolidin-1-yl)methanone

Conditions

Conditions	Yield
In tetrahydrofuran; water	98%

: 6-{[6-(trifluoromethyl)pyridin-3-yl]oxy}quinoline-2-carboxylic acid

: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: tert-butyl 4-[(6-{[6-(trifluoromethyl)pyridin-3-yl]oxy}quinolin-2-yl)carbonyl]piperazine-1-carboxylate

Conditions

Conditions	Yield
With triethylamine In water; ethyl acetate; N,N-dimethyl-formamide	97%

: 861359-74-2
diisopropylethyl amine

(L)-α-aspartyl-3-cyclohexyl-(L-alanineamide phenylmethyl ester trifluoroacetate: (L)-α-aspartyl-3-cyclohexyl-(L-alanineamide phenylmethyl ester trifluoroacetate

: 222640-99-5
N-ethyl-N-[1-oxo-4-[1-[(phenylmethoxy)carbonyl]-4-piperidinyl]butyl]glycine

: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

: N-[N-ethyl-N-[1-oxo-4-[1-[(phenylmethoxy)carbonyl]-4-piperidinyl]butyl]glycyl]-(L)-α-aspartyl-3-cyclohexyl-(L)-alanineamide phenylmethyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N-methyl-acetamide; N,N-dimethyl-formamide	95%

: 508-02-1
Oleanolic acid

: 125700-67-6
O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

: 1596377-01-3
1-benzotriazolyl 3β-hydroxyolean-12-en-28-oate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 12h;	95%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 5h; Inert atmosphere;	93%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 5h; Inert atmosphere;	93%

Benzotriazol-1-yl-tetramethyluronium tetrafluoroborate Chemical Properties

IUPAC Name of TBTU (125700-67-6): [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium; boron(3+); tetrafluoride
Synonyms:O-Benzotriazol-1-yl-N,N,N',N'-tetramethyluronium tetrafluoroborate; 2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate
Molecular Formula: C₁₁H₁₆N₅O.BF₄
Molecular Weight : 321.08 g/mol
EINECS: 423-040-4
storage temp.: 2-8 °C
Melting point: 200 °C
solubility:acetonitrile: 0.1 g/mL, clear
Appearance: white or off-white crystalline powder
Following is the molecular structure of TBTU (125700-67-6):

Benzotriazol-1-yl-tetramethyluronium tetrafluoroborate Safety Profile

Safty informations about TBTU (125700-67-6):
Hazard Symbols: Irritant Xi, Flammable F
Risk Codes :
R36/37/38:Irritating to eyes, respiratory system and skin.
R5 :Heating may cause an explosion.
Safety Description :
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39: Wear suitable gloves and eye/face protection.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
F: 8-10-21
Hazard Note: Irritant/Flammable

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