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HBTU

HBTU ??? ???
?? ??:
94790-37-1
???:
HBTU
???(??):
1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide;O-benzotriazol-l-yl-tetramethyluroniumhexafluorophosphate;O-BENZOTRIAZOL-1-YL-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE;O-(BENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE;2-(1H-BENZOTRIAZOLE-1-YL)-1,1,3,3-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE;O-(1H-BENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE;HBTU;-1-yL;HBTU,99%;HBTU 25 G
CBNumber:
CB1138465
???:
C11H16F6N5OP
??? ??:
379.25
MOL ??:
94790-37-1.mol
MSDS ??:
SDS

HBTU ??

???
200 °C (dec.)(lit.)
???
200°C
?? ??
Store at +2°C to +8°C.
???
??????: 0.1 g/mL, ??
??? ??
??
??
???? ?????
??????(pH)
4.1 (1.6g/l, H2O)
???
1.6g/L
????
200 ºC
BRN
7328329
???
????. ???? ???? ????.
InChI
InChI=1S/C11H16N5O.F6P/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1
InChIKey
UQYZFNUUOSSNKT-UHFFFAOYSA-N
SMILES
[P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(=[N+]1/N=N(=O)C2=CC=CC=C/12)(\N(C)C)/N(C)C
CAS ??????
94790-37-1(CAS DataBase Reference)
EPA
1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide, hexafluorophosphate(1-) (1:1) (94790-37-1)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi,Xn
?? ???? ?? 36/37/38-20/21/22-42/43
????? 26-36/37/39-36-22
WGK ?? 3
F ?????? 8-10-21
?? ?? ?? Irritant
HS ?? 29339980
?? LD50 orally in Rabbit: > 2000 mg/kg
????(GHS): GHS hazard pictograms
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H317 ????? ?? ??? ??? ? ?? ?? ??? ?? ?? 1 ?? GHS hazard pictograms P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ?? GHS hazard pictograms
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P271 ?? ?? ??? ? ?? ???? ?????.
P272 ??? ??? ??? ??? ???? ???.
P280 ????/???/???/?????? ?????.
P302+P352 ??? ??? ??? ?? ????.
NFPA 704
1
2 0

HBTU MSDS


2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate

HBTU C??? ??, ??, ??

??? ??

white to light yellow powder

??

HBTU is a coupling reagent used in peptide synthesis. HBTU has been shown to effectively suppress racemization.

Synthesis

HBTU is synthesized by reaction of HOBt with TCFH under basic conditions.

Purification Methods

Wash the salt with H2O (3x), CH2Cl2 (3x), dry and recrystallise it from MeCN. Dry it in a vacuum and store it cold in the dark [Dourtoglou et al. Tetrahedron Lett 1269 1978, NMR: Dourtoglou and Gross Synthesis 572 1984]. Benzoxazolinone (2 -hydroxybenzoxazole) [59 -49 -4] M 135.1, m 137 -139o, 142 -143o(corrected), b 121-213o/17mm, 335-337o/760mm. Benzoxazolinone is purified by recrystallisation from aqueous Me2CO followed by distillation at atmospheric pressure, then in a vacuum. The methyl mercury salt recrystallises from aqueous EtOH and has m 156-158o. [Bywater et al. J Am Chem Soc 67 905 1945, Beilstein 27 III/IV 2677.]

HBTU ?? ?? ? ???

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HBTU ?? ??

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HBTU ?? ??:

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