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BOP reagent: Difference between revisions

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Revision as of 21:14, 19 January 2011 editThe chemistds (talk | contribs)Extended confirmed users5,761 edits Added PubChem, CSID, stdInChI, and stdInChIkey← Previous edit Revision as of 21:24, 19 January 2011 edit undoCheMoBot (talk | contribs)Bots141,565 edits Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'ChEMBL_Ref', 'KEGG_Ref') per Chem/Drugbox validation (Next edit →
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{{chembox {{chembox
| verifiedrevid = 408850859
| ImageFile = BOP reagent.png | ImageFile = BOP reagent.png
| ImageSize = | ImageSize =
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| CASNo = 56602-33-6 | CASNo = 56602-33-6
| PubChem = 151348 | PubChem = 151348
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 133386 | ChemSpiderID = 133386
| SMILES = F(F)(F)(F)(F)F.n1nn(O(N(C)C)(N(C)C)N(C)C)c2ccccc12 | SMILES = F(F)(F)(F)(F)F.n1nn(O(N(C)C)(N(C)C)N(C)C)c2ccccc12
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI=1S/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 | StdInChI=1S/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
| StdInChIKey = MGEVGECQZUIPSV-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = MGEVGECQZUIPSV-UHFFFAOYSA-N
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties

Revision as of 21:24, 19 January 2011

BOP reagent
Names
IUPAC name Benzotriazole-1-yl-oxy-tris-(dimethylamino)-phosphonium hexafluorophosphate
Other names Castro's reagent
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.054.782 Edit this at Wikidata
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/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;-1Key: MGEVGECQZUIPSV-UHFFFAOYSA-N
SMILES
  • F(F)(F)(F)(F)F.n1nn(O(N(C)C)(N(C)C)N(C)C)c2ccccc12
Properties
Chemical formula C12H22F6N6OP2
Molar mass 442.281 g/mol
Appearance White crystalline powder
Melting point 136 - 140 °C
Solubility in water Partially soluble in cold water
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Chemical compound

BOP-reagent is a reagent commonly used in the synthesis of peptides. Its use is discouraged because coupling using BOP liberates HMPA which is carcinogenic, although for small scale use in an organic laboratory this is not a great disadvantage as it is in large scale industrial usage.

See also


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