Difference between revisions of "File:Synthesis of Sceptrin II.png"

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}}
 
}}
 
{{Substance identification
 
{{Substance identification
−
| name =  
+
| name = 1-(4-bromo-1''H''-pyrrol-2-yl)-2,2,2-trichloroethanone
−
| InChI =  
+
| InChI = 1/C6H3BrCl3NO/c7-3-1-4(11-2-3)5(12)6(8,9)10/h1-2,11H
−
| StdInChI =  
+
| StdInChI = 1S/C6H3BrCl3NO/c7-3-1-4(11-2-3)5(12)6(8,9)10/h1-2,11H
−
| InChIKey =  
+
| InChIKey = CQLTVLIUJXOOGD-UHFFFAOYAY
−
| StdInChIKey =  
+
| StdInChIKey = CQLTVLIUJXOOGD-UHFFFAOYSA-N
−
|  InChI_ref =  
+
|  InChI_ref = [http://www.chemspider.com/2076913 ChemSpider]
−
| CASNo =  
+
| CASNo = 72652-32-5
 
|  CASNo_ref =  
 
|  CASNo_ref =  
 
| ECNo =  
 
| ECNo =  
Line 45: Line 45:
 
{{Substance identification
 
{{Substance identification
 
| name = ''tert''-butyl ''N''-[4-[(1''R'',2''S'',3''S'',4''R'')-2,3-bis[[(4-bromo-1''H''-pyrrole-2-carbonyl)amino]methyl]-4-[2-(''tert''-butoxycarbonylamino)-3''H''-imidazol-4-​ yl]cyclobutyl]-3''H''-imidazol-2-yl]carbamate
 
| name = ''tert''-butyl ''N''-[4-[(1''R'',2''S'',3''S'',4''R'')-2,3-bis[[(4-bromo-1''H''-pyrrole-2-carbonyl)amino]methyl]-4-[2-(''tert''-butoxycarbonylamino)-3''H''-imidazol-4-​ yl]cyclobutyl]-3''H''-imidazol-2-yl]carbamate
−
| InChI = 1/C32H40Br2N10O6/c1-31(2,3)49-29(47)43-27-39-13-21(41-27)23 ​-17(11-37-25(45)19-7-15(33)9-35-19)18(12-38-26(46)20-8-16(34)10-3​ 6-20)24(23)22-14-40-28(42-22)44-30(48)50-32(4,5)6/h7-10,13-14,17-​ 18,23-24,35-36H,11-12H2,1-6H3,(H,37,45)(H,38,46)(H2,39,41,43,47)(​ H2,40,42,44,48)/t17-,18-,23-,24-/m0/s1
+
| InChI = 1/C32H40Br2N10O6/c1-31(2,3)49-29(47)43-27-39-13-21(41-27)23 ​-17(11-37-25(45)19-7-15(33)9-35-19)18(12-38-26(46)20-8-16(34)10-3​ 6-20)24(23)22-14-40-28(42-22)44-30(48)50-32(4,5)6/h7-10,13-14,17-​18,23-24,35-36H,11-12H2,1-6H3,(H,37,45)(H,38,46)(H2,39,41,43,47)(​H2,40,42,44,48)/t17-,18-,23-,24-/m0/s1
−
| StdInChI = 1S/C32H40Br2N10O6/c1-31(2,3)49-29(47)43-27-39-13-21(41-27)2 ​3-17(11-37-25(45)19-7-15(33)9-35-19)18(12-38-26(46)20-8-16(34)10-​ 36-20)24(23)22-14-40-28(42-22)44-30(48)50-32(4,5)6/h7-10,13-14,17​ -18,23-24,35-36H,11-12H2,1-6H3,(H,37,45)(H,38,46)(H2,39,41,43,47)​ (H2,40,42,44,48)/t17-,18-,23-,24-/m0/s1
+
| StdInChI = 1S/C32H40Br2N10O6/c1-31(2,3)49-29(47)43-27-39-13-21(41-27)2 ​3-17(11-37-25(45)19-7-15(33)9-35-19)18(12-38-26(46)20-8-16(34)10-​ 36-20)24(23)22-14-40-28(42-22)44-30(48)50-32(4,5)6/h7-10,13-14,17​-18,23-24,35-36H,11-12H2,1-6H3,(H,37,45)(H,38,46)(H2,39,41,43,47)​(H2,40,42,44,48)/t17-,18-,23-,24-/m0/s1
 
| InChIKey = FLVPOGPRERRHHH-MQQADFIWBJ
 
| InChIKey = FLVPOGPRERRHHH-MQQADFIWBJ
 
| StdInChIKey = FLVPOGPRERRHHH-MQQADFIWSA-N
 
| StdInChIKey = FLVPOGPRERRHHH-MQQADFIWSA-N

Revision as of 05:43, 18 August 2009

Description Part of Birman's synthesis of sceptrin.
Date 2007-05-09
Source self-drawn
Author User:Fayettmr190
Permission released into the public domain by the author
No copyright 200px.png This file has been (or is hereby) released into the public domain by its author. This applies worldwide.
In case this is not legally possible, the author has granted (or grants hereby) anyone the right to use this work for any purpose, without any conditions, unless such conditions are required by law.
Substance identification
This file contains an image or representation of, or data relating to, tert-butyl N-[4-[(1R,2S,3S,4R)-2,3-bis(azidomethyl)-4-[2-(tert-butoxycarbonylamino)-3H-imidazol-4-yl]cyclobutyl]-3H-imidazol-2-yl]​ carbamate.
Error creating thumbnail: Unable to save thumbnail to destination
 International Chemical Identifiers (InChI)
 InChI=1/C22H32N12O4/c1-21(2,3)37-19(35)31-17-25-9-13(29-17)15-11( ​7-27-33-23)12(8-28-34-24)16(15)14-10-26-18(30-14)32-20(36)38-22(4​ ,5)6/h9-12,15-16H,7-8H2,1-6H3,(H2,25,29,31,35)(H2,26,30,32,36)/t1​ 1-,12-,15-,16-/m0/s1
 InChI=1S/C22H32N12O4/c1-21(2,3)37-19(35)31-17-25-9-13(29-17)15-11 ​(7-27-33-23)12(8-28-34-24)16(15)14-10-26-18(30-14)32-20(36)38-22(​ 4,5)6/h9-12,15-16H,7-8H2,1-6H3,(H2,25,29,31,35)(H2,26,30,32,36)/t​ 11-,12-,15-,16-/m0/s1
InChIKeys: XHJJTNJSLTWPRI-APYUEPQZBY, XHJJTNJSLTWPRI-APYUEPQZSA-N
Green tick.png These identifiers have been verified against the following sources:
InChI: ChemSpider
Substance identification
This file contains an image or representation of, or data relating to, tert-butyl N-[4-[(1R,2S,3S,4R)-2,3-bis(aminomethyl)-4-[2-(tert-butoxycarbonylamino)-3H-imidazol-4-yl]cyclobutyl]-3H-imidazol-2-yl]​ carbamate.
Error creating thumbnail: Unable to save thumbnail to destination
 International Chemical Identifiers (InChI)
 InChI=1/C22H36N8O4/c1-21(2,3)33-19(31)29-17-25-9-13(27-17)15-11(7 ​-23)12(8-24)16(15)14-10-26-18(28-14)30-20(32)34-22(4,5)6/h9-12,15​ -16H,7-8,23-24H2,1-6H3,(H2,25,27,29,31)(H2,26,28,30,32)/t11-,12-,​ 15-,16-/m0/s1
 InChI=1S/C22H36N8O4/c1-21(2,3)33-19(31)29-17-25-9-13(27-17)15-11( ​7-23)12(8-24)16(15)14-10-26-18(28-14)30-20(32)34-22(4,5)6/h9-12,1​ 5-16H,7-8,23-24H2,1-6H3,(H2,25,27,29,31)(H2,26,28,30,32)/t11-,12-​ ,15-,16-/m0/s1
InChIKeys: MSQAXSNNOMSKTI-APYUEPQZBN, MSQAXSNNOMSKTI-APYUEPQZSA-N
Green tick.png These identifiers have been verified against the following sources:
InChI: ChemSpider
Substance identification
This file contains an image or representation of, or data relating to, 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone.
Error creating thumbnail: Unable to save thumbnail to destination
 International Chemical Identifiers (InChI)
 InChI=1/C6H3BrCl3NO/c7-3-1-4(11-2-3)5(12)6(8,9)10/h1-2,11H
 InChI=1S/C6H3BrCl3NO/c7-3-1-4(11-2-3)5(12)6(8,9)10/h1-2,11H
InChIKeys: CQLTVLIUJXOOGD-UHFFFAOYAY, CQLTVLIUJXOOGD-UHFFFAOYSA-N
CAS registry number: [72652-32-5]
Green tick.png These identifiers have been verified against the following sources:
InChI: ChemSpider

{{Substance identification | name = tert-butyl N-[4-[(1R,2S,3S,4R)-2,3-bis[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4-[2-(tert-butoxycarbonylamino)-3H-imidazol-4-​ yl]cyclobutyl]-3H-imidazol-2-yl]carbamate | InChI = 1/C32H40Br2N10O6/c1-31(2,3)49-29(47)43-27-39-13-21(41-27)23 ​-17(11-37-25(45)19-7-15(33)9-35-19)18(12-38-26(46)20-8-16(34)10-3​ 6-20)24(23)22-14-40-28(42-22)44-30(48)50-32(4,5)6/h7-10,13-14,17-​18,23-24,35-36H,11-12H2,1-6H3,(H,37,45)(H,38,46)(H2,39,41,43,47)(​H2,40,42,44,48)/t17-,18-,23-,24-/m0/s1 | StdInChI = 1S/C32H40Br2N10O6/c1-31(2,3)49-29(47)43-27-39-13-21(41-27)2 ​3-17(11-37-25(45)19-7-15(33)9-35-19)18(12-38-26(46)20-8-16(34)10-​ 36-20)24(23)22-14-40-28(42-22)44-30(48)50-32(4,5)6/h7-10,13-14,17​-18,23-24,35-36H,11-12H2,1-6H3,(H,37,45)(H,38,46)(H2,39,41,43,47)​(H2,40,42,44,48)/t17-,18-,23-,24-/m0/s1 | InChIKey = FLVPOGPRERRHHH-MQQADFIWBJ | StdInChIKey = FLVPOGPRERRHHH-MQQADFIWSA-N | InChI_ref = ChemSpider | CASNo = | CASNo_ref = | ECNo = | ECNo_ref = }}

Substance identification
This file contains an image or representation of, or data relating to, sceptrin.
Error creating thumbnail: Unable to save thumbnail to destination
 International Chemical Identifiers (InChI)
 InChI=1/C22H24Br2N10O2/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20 ​(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25​ )33-15/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25​ ,31,33)(H3,26,32,34)/t11-,12-,17-,18-/m0/s1
 InChI=1S/C22H24Br2N10O2/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-2 ​0(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(2​ 5)33-15/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,2​ 5,31,33)(H3,26,32,34)/t11-,12-,17-,18-/m0/s1
InChIKeys: YPZNLFZLPZWWAD-BMEPFDOTBP, YPZNLFZLPZWWAD-BMEPFDOTSA-N
Green tick.png These identifiers have been verified against the following sources:
InChI: ChemSpider

File history

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Date/TimeThumbnailDimensionsUserComment
current11:05, 9 May 2007Thumbnail for version as of 11:05, 9 May 20072,263 × 1,580 (49 KB)Fayettmr190 (talk | contribs)This image shows the final steps to synthesize sceptrin I, the creator of this image, do hereby declare it public domain
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