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CAS No.: | 56602-33-6 |
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Name: | Benzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H22N6OP.PF6 |
Molecular Weight: | 442.284 |
Synonyms: | Btzo-tdmap;Phosphorus(1++), (1-hydroxy-1H-benzotriazolato-O)tris(N-methylmethanaminato)-, (beta-4)-, hexafluorophosphate(1-);Bop reagent;Tri(dimethylamino)benzotriazol-1-yloxyphosphonium hexafluorophosphate;Phosphorus(1+),(1-hydroxy-1Hbenzotriazolato- O)tris(N-methylmethanaminato)-,(T-4)-,hexafluorophosphate(1-);(1H-Benzotriazol-1-yloxy)-tris(dimethylamino)phosphonium hexafluorophosphate(1-);Phosphorus(1+), (1H-benzotriazol-1-olato-O)tris(N-methylmethanaminato)-, (T-4)-;BOP-Reagent;Benzotriazole-1-yl-oxy-tris-(dimethylamino)-phosphonium;BOP hexafluorophosphate;Benzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphate; |
EINECS: | 260-279-1 |
Melting Point: | >130 °C (dec.)(lit.) |
Flash Point: | 138 °C |
Solubility: | methanol: 25 mg/mL, clear |
Appearance: | white to off-white powder |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-44-36/37/38 |
Safety: | 24/25-37/39-36-26 |
Transport Information: | UN 1325 4.1/PG 2 |
PSA: | 76.84000 |
LogP: | 4.60470 |
benzotriazol-1-ol
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
Conditions | Yield |
---|---|
With TEA In acetone for 1h; |
N,N,N,N,N,N-hexamethylphosphoric triamide
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 72 percent / potassium hexafluorophosphate; oxalyl chloride; DMF / acetonitrile / 4 h / 0 - 20 °C 2: TEA / acetone / 1 h View Scheme |
5-amino-4-chloro-2-fluorobenzoic acid
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
1H-benzo[d][1,2,3]triazol-1-yl 5-amino-4-chloro-2-fluorobenzoate
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 0℃; for 3h; | 98.8% |
3-cyclopentyl-2-(4-methanesulfonyl-phenyl)propionic acid
2-amino-thiazole-5-carboxylic acid ethyl ester
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
2-[3-cyclopentyl-2-(4-methanesulfonyl-phenyl)-propionylamino]-thiazole-5-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 98% |
4-hydroxy[1]benzopyran-2-one
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
Conditions | Yield |
---|---|
Stage #1: 4-hydroxy[1]benzopyran-2-one With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 0.166667h; Stage #2: (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate In acetonitrile at 20℃; for 1h; | 97% |
2-thiazolylamine
3-cyclopentyl-2-(3,4-dichlorophenyl)propionic acid
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 96% |
With triethylamine In dichloromethane | 96% |
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
9-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-1H-purin-6(9H)-one
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; | 95% |
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 40h; | 85% |
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 40h; | 85% |
2-thiazolylamine
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane | 95% |
1H-benzimidazol-2-amine
3-cyclopentyl-2-(3,4-dichlorophenyl)propionic acid
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 95% |
1H-benzimidazol-2-amine
2-(3-cyano-4-methanesulfonylphenyl)-3-cyclopentylpropionic acid
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 95% |
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Purity: 99%min
Loss on dryging: 0.5%max
Heavy metals: 20 ppm max
BOP , with the CAS register number 56602-33-6 , is also known to us as (1-hydroxy-1h-benzotriazolato-o)tris(n-methylmethanaminato)-phosphorus(1++;benzotriazol-1-yl-oxytris(dimethylamino)phosphoniumhexa-fluorophosphate(bop) , BENZOTRIAZOLYL-N-OXYTRIS-(DIMETHYLAMINO-PHOSPHONIUM HEXAFLUOROPHOSPHATE) , BENZOTRIAZOLE-1-YL-OXY-TRIS-DIMETHYLAMINOPHOPHONIUM ,etc.
Some characteristics of this chemical are as below: (1)Melting point 136-140°C ; (2)Decomposition 138°C. It is a kind of white to off-white powder and it is soluble in the methanol 25 mg/mL. And it is sensitive to the moisture and light. As for its usage, it could be used as peptide coupling reagent and it is also applied in the preparation of phenyl esters of amino acids which have been shown to be valuable as blocked derivatives of amino acids in the field of peptide synthesis. While storing, it should be put in a 2-8 °C environment.
Being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes. For one thing, it is irritant to eyes, respiratory system and skin, and for another, it has the risk of explosion if heated under confinement. So while using this chemical, you should wear suitable gloves and eye/face protection. And avoid contact with skin and eyes, but if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, if you need more safety information, you could refer to WGK Germany 3.
This kind of chemical belongs to the product categories which are as the following: Pharmaceutical Intermediates, Peptide Coupling Reagents & Miscellaneous Reagents, Biochemistry, Condensation & Active Esterification, Coupling Reactions (Peptide Synthesis), Phosphonium Compounds, Synthetic Organic Chemistry.
And you could also obtain the molecular structure by converting the following data information:
SMILES: F[P-](F)(F)(F)(F)F.n1nn(O[P+](N(C)C)(N(C)C)N(C)C)c2ccccc12
InChI: InChI=1/C12H22N6OP.F6P/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1
InChIKey: MGEVGECQZUIPSV-UHFFFAOYAP