Chloroform → HCID 22416306, compound

HRID 1720845Notes

Reaction equation

[K+].[Br-].[CH3:3][C:4]#N.C(Cl)(Cl)Cl.[N:10]1[CH:15]=[CH:14][C:13]([C:16]2[N:21]=[CH:20][C:19]([C:22]3[CH:27]=[CH:26][C:25](NN)=[CH:24][CH:23]=3)=[CH:18][N:17]=2)=[CH:12][CH:11]=1.[C:30]1([CH3:36])[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.C([O:40][CH2:41][CH3:42])(=O)C>>[CH2:41]([O:40][C:25]1[CH:26]=[CH:27][C:22]([C:19]2[CH:18]=[N:17][C:16]([C:13]3[CH:14]=[CH:15][N:10]=[CH:11][CH:12]=3)=[N:21][CH:20]=2)=[CH:23][CH:24]=1)[CH2:42][CH2:18][CH2:19][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:30][CH2:36][CH2:4][CH3:3]

Participants

Reactant 5

HCID 6212Chloroform

HCID 6342Acetonitrile

HCID 253877Potassium Bromide

HCID 21584019Toluene ethylacetate

HCID 22416310HCID 22416310, compound

Product 1

HCID 22416306HCID 22416306, compound

Procedure

IR (KBr): ν=3037 cm-1, 2918, 2850, 1608, 1596, 1519, 1441, 1290, 1264, 1257, 833, 787. -UV (CH3CN), qual.: λmax =301 mn, 370 (sh). - UV (CHCl3): λmax (log ε)=303 nm (4.325), 330 (sh, 4.201), 370 (sh, 3.234). - 1H NMR (CDCl3): δ=1.15-1.45 (m, 35H, OCH2C17H35) , 3.97 (t, 2H, OCH2C17H35), 7.01 (d, 2H, CCHCHCOC18H37), 7.54 (d, 2H, CCHCHCOC18H37), 8.47 (d, 2H, NCHCH), 8.74 (d, 2H, NCHCH), 9.00 (s, 2H, pyrimidine-H). -MS (70 eV): m/z (%)=501 (61) [M+ ], 249 (100) . - TLC (CH2Cl2 /methanol 1/1): Rf =0.65.

Sources & evidence

ORD record: ord-21ccb80bc8cd4248a6359a1421167c4a
Source dataset: uspto-grants-1996_04
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US05507974

Reaction notes

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