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기본 정보
- CAS
148893-10-1- 표준 SMILES
CN(C)C(n1n[n+]([O-])c2ncccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F- InChIKey
FKBFHOSFPRWJNV-UHFFFAOYSA-N- 분자식
- C10H15F6N6OP
- 평균 분자량
- 380.233 g/mol
- 단동위원소 질량
- 380.09491505
이름 및 식별자
- 우선 이름
- 1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxide hexafluorophosphate
- IUPAC
- 1-[Bis(dimethylamino)methylidene]-3-oxo-1H-3lambda~5~-[1,2,3]triazolo[4,5-b]pyridin-1-ium hexafluoridophosphate(1-)
- 영어명
- HATU
- 분자식
- C10H15F6N6OP
- 분자량
- 380.24
이름 및 동의어
2-(7-AZA-1H-BENZOTRIAZOLE-1-YL)-1,1,3,3-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATEO-(7-AZABENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate, ChemDoseTM tablets2-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)-1,1,3,3-tetramethylisouronium hexafluorophosphate(V)1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate2-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphateN-[(DIMETHYLAMINO)-1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINO-1-YLMETHYLENE]-N-METHYLMETHANAMINIUM HEXAFLUOROPHOSPHATE N-OXIDEO-(7-AZABENZOTRIAZOL-1-YL)-1,1,3,3-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE2-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)-1,1,3,3-tetraMethyluroniuM hexafluorophosphate(V)[bis(dimethylamino)methylidene]({3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl})oxidanium
데이터베이스 식별자
- CAS
148893-10-1- PubChem CID
- 6409673
- DTXSID
DTXSID30933498- UNII
- B93RIH1T7E
- EC Number
- 604-662-7
물성
물리화학적 성질
- 녹는점
- 183 · 183-188 °C (dec.)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 16 mg/mL · >16mg/mL in DMSO
- 물리적 상태
- powder to crystaline
- 색상
- 흰색에서 거의 흰색
- 수용성
- 아세토니트릴에 용해됩니다. 물에 불용성.
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C10H15N6O.F6P/c1-13(2)10(14(3)4)15-8-6-5-7-11-9(8)16(17)12-15;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
- InChIKey
- KZAWCZZRROLLDL-UHFFFAOYSA-N
- SMILES
- [P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(=[N+]1/N=N(=O)C2=NC=CC=C/12)(\N(C)C)/N(C)C
- EPA
- 1 H-1,2,3-Triazolo[4,5-b]pyridinium, · 1H-1,2,3-Triazolo[4,5-b]pyridinium, 1-[bis(dimethylamino)methylene]-, hexafluorophosphate(1-), 3-oxide (148893-10-1)
화학적 성질
White crystalline to off-white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- ridadr
- 1325
- HS 번호
- 29339999
- risk_code
- 36/37/38-20/21/22-2
- hazard_code
- Xi,Xn,E
- safety_code
- 26-37/39-36/37-36-35
- 포장분류
- Ⅱ
- 위험 등급
- 4.1
- F 고인화성물질
- 10-21
- Hazard Classifications
- Resp. Sens. 1Skin Sens. 1A
- 스토리지 클래스
- 4.1A - Other explosive hazardous materials
화학 및 산업
응용 분야
개요HATU, first prepared by Louis A. Carpino in 1993, is widely used in carboxylic acid amidation reactions. It acts as a facilitator of amide bond generation by activating the carboxyl group.
용도HATU[148893-10-1] is a coupling reagent and used as an additive in peptide synthesis. It is also involved efficiently to speed up the coupling process and reduces the loss of chiral integrity.Reagent for: Synthesis of Aurora A kinase inhibitors, HPLC assay to determine D- and L- acid enantiomers in human plasma, Amide bond formation reactions.Catalyst for: Selective acylation, Selecocyclization-oxidation deselenation sequence.
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