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1,2,3-Triazole-4-carboxylic acid → HCID 178473661, 화합물

HRID 535195
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HRID 535195 반응식
[NH:1]1[CH:5]=[C:4]([C:6]([OH:8])=O)[N:3]=[N:2]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH2:33]([O:35][C:36]([O:38][CH2:39][O:40][C:41](=[O:62])[C@@:42]([CH2:60][OH:61])([CH3:59])[CH2:43][C@H:44]([NH2:58])[CH2:45][C:46]1[CH:51]=[CH:50][C:49]([C:52]2[CH:57]=[CH:56][CH:55]=[CH:54][CH:53]=2)=[CH:48][CH:47]=1)=[O:37])[CH3:34]>CN(C=O)C.CCN(C(C)C)C(C)C>[CH2:33]([O:35][C:36]([O:38][CH2:39][O:40][C:41](=[O:62])[C@@:42]([CH2:60][OH:61])([CH3:59])[CH2:43][C@H:44]([NH:58][C:6]([C:4]1[NH:3][N:2]=[N:1][CH:5]=1)=[O:8])[CH2:45][C:46]1[CH:47]=[CH:48][C:49]([C:52]2[CH:57]=[CH:56][CH:55]=[CH:54][CH:53]=2)=[CH:50][CH:51]=1)=[O:37])[CH3:34]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 1401201,2,3-Triazole-4-carboxylic acidHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 68181053(2S,4R)-4-amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methyl-pentanoic acid ethoxycarbonyloxymethyl ester

생성물 1

HCID 178473661HCID 178473661, 화합물수율 8,161.3%

시약·촉매·용매 2

HCID 81531
Diisopropylethylamine
촉매
HCID 6228Dimethylformamide용매

실험 절차

1,2,3-Triazole-4-carboxylic acid (14 mg, 124 nmol), DIPEA (86.3 mL, 496 nmol) and HATU (47.1 mg, 124 nmol) were combined in DMF (0.2 mL) and stirred for 5 minutes at room temperature. This was then combined with (2S,4R)-4-amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methyl-pentanoic acid ethoxycarbonyloxymethyl ester (51 mg, 120 nmol). The resulting mixture was stirred for 15 minutes and the reaction was quenched with AcOH. The product purified by preparative HPLC and lyophilized to yield the title compound (5 mg; purity 90%). MS m/z [M+H]+ calc'd for C26H30N4O2, 511.21. found 511.6.

후처리

  1. stirringThe resulting mixture was stirred for 15 minutes
  2. customthe reaction was quenched with AcOH
  3. customThe product purified by preparative HPLC

출처 및 근거

ORD 기록
ord-9e41ecabf94f4d708af3476f731d79a6
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08853427B2

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