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Cas Database |
| Name |
Benzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphate |
EINECS | 260-279-1 |
| CAS No. | 56602-33-6 | Density | N/A |
| PSA | 76.84000 | LogP | 4.60470 |
| Solubility | methanol: 25 mg/mL, clear | Melting Point |
>130 °C (dec.)(lit.) |
| Formula | C12H22N6OP.PF6 | Boiling Point | N/A |
| Molecular Weight | 442.284 | Flash Point | 138 °C |
| Transport Information | UN 1325 4.1/PG 2 | Appearance | white to off-white powder |
| Safety | 24/25-37/39-36-26 | Risk Codes | 37/38-44-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| 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; |
Article Data | 2 |
Benzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphate Synthetic route
- 2592-95-2
benzotriazol-1-ol
- 56602-33-6
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With TEA In acetone for 1h; |
- 680-31-9
N,N,N,N,N,N-hexamethylphosphoric triamide
- 56602-33-6
(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 |
- 957187-25-6
5-amino-4-chloro-2-fluorobenzoic acid
- 56602-33-6
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
- 1386981-39-0
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% |
- 300354-95-4
3-cyclopentyl-2-(4-methanesulfonyl-phenyl)propionic acid
- 32955-21-8
2-amino-thiazole-5-carboxylic acid ethyl ester
- 56602-33-6
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
- 588940-26-5
2-[3-cyclopentyl-2-(4-methanesulfonyl-phenyl)-propionylamino]-thiazole-5-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | 98% |
- 1076-38-6
4-hydroxy[1]benzopyran-2-one
- 56602-33-6
(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% |
- 96-50-4
2-thiazolylamine
- 300355-34-4
3-cyclopentyl-2-(3,4-dichlorophenyl)propionic acid
- 56602-33-6
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | 96% |
| With triethylamine In dichloromethane | 96% |
- 56602-33-6
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
- 93778-57-5
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% |
- 96-50-4
2-thiazolylamine
- 56602-33-6
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane | 95% |
- 934-32-7
1H-benzimidazol-2-amine
- 300355-34-4
3-cyclopentyl-2-(3,4-dichlorophenyl)propionic acid
- 56602-33-6
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | 95% |
- 934-32-7
1H-benzimidazol-2-amine
- 300355-72-0
2-(3-cyano-4-methanesulfonylphenyl)-3-cyclopentylpropionic acid
- 56602-33-6
(benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | 95% |
Benzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphate Standards and Recommendations
Purity: 99%min
Loss on dryging: 0.5%max
Heavy metals: 20 ppm max
Benzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphate Specification
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
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