Methyl 4-(aminomethyl)benzoate → HCID 66737059, compound

HRID 1641976Notes

Reaction equation

HRID 1641976 reaction equation
N[C@@H]1CCN(C2N=C3C(N=CN3[C@@H]3C[C@H](N4N=NC(CC)=N4)[C@@H](O)[C@H]3O)=C(NCC(C3C=CC=CC=3)C3C=CC=CC=3)N=2)C1.[ClH:45].[C:46]1([CH:52]([C:94]2[CH:99]=[CH:98][CH:97]=[CH:96][CH:95]=2)[CH2:53][NH:54][C:55]2[N:63]=[C:62]([N:64]3[CH2:68][CH2:67][C@@H:66]([NH:69][C:70](NCC4C=CC=CN=4)=[O:71])[CH2:65]3)[N:61]=[C:60]3[C:56]=2[N:57]=[CH:58][N:59]3[C@@H:80]2[CH2:84][C@H:83]([N:85]3[N:89]=[N:88][C:87]([CH2:90][CH3:91])=[N:86]3)[C@@H:82]([OH:92])[C@H:81]2[OH:93])[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1.[CH3:100][O:101][C:102](=[O:111])[C:103]1[CH:108]=[CH:107][C:106]([CH2:109][NH2:110])=[CH:105][CH:104]=1>>[ClH:45].[CH3:100][O:101][C:102](=[O:111])[C:103]1[CH:108]=[CH:107][C:106]([CH2:109][NH:110][C:70]([NH:69][C@@H:66]2[CH2:67][CH2:68][N:64]([C:62]3[N:61]=[C:60]4[C:56]([N:57]=[CH:58][N:59]4[C@@H:80]4[CH2:84][C@H:83]([N:85]5[N:89]=[N:88][C:87]([CH2:90][CH3:91])=[N:86]5)[C@@H:82]([OH:92])[C@H:81]4[OH:93])=[C:55]([NH:54][CH2:53][CH:52]([C:94]4[CH:95]=[CH:96][CH:97]=[CH:98][CH:99]=4)[C:46]4[CH:47]=[CH:48][CH:49]=[CH:50][CH:51]=4)[N:63]=3)[CH2:65]2)=[O:71])=[CH:105][CH:104]=1

Participants

4

Reactant 3

HCID 571728Methyl 4-(aminomethyl)benzoateHCID 11650095(1R,2S,3R,5S)-3-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(5-ethyl-tetrazol-2-yl)-cyclopentane-1,2-diolHCID 667357721-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-2-ylmethyl-urea hydrochloride

Product 1

HCID 66737059HCID 66737059, compound

Procedure

This compound is prepared from ((1R,2S,3R,5S)-3-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(5-ethyl-tetrazol-2-yl)-cyclopentane-1,2-diol (Example 48) using a procedure analogous to that of 1-((R)-1-{6-(2,2-diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxcyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-2-ylmethyl-urea hydrochloride (Example 113) by replacing 2-aminomethyl pyridine with 4-aminomethyl-benzoic acid methyl ester. MS (ES+) m/e 787.45 (MH+)

Sources & evidence

ORD record
ord-e00abe0c63dd4e76b440af273b7b8fe7
Source dataset
uspto-grants-2012_02
Patent number
US08114877B2

Reaction notes

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