3-Bromo-5-trifluoromethoxybenzoic acid methylester → Methyl 3-cyano-5-(trifluoromethoxy)benzoate

반응식

Br[C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([O:12][C:13]([F:16])([F:15])[F:14])[CH:11]=1)[C:5]([O:7][CH3:8])=[O:6].[C:17](C1C=C(C=C(OC(C)C)C=1)C(OC)=O)#[N:18]>>[C:17]([C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([O:12][C:13]([F:16])([F:15])[F:14])[CH:11]=1)[C:5]([O:7][CH3:8])=[O:6])#[N:18]

참가 물질

반응물 2

HCID 534196213-Bromo-5-trifluoromethoxybenzoic acid methylester

HCID 67195394Methyl 3-cyano-5-isopropoxybenzoate

생성물 1

HCID 67192787Methyl 3-cyano-5-(trifluoromethoxy)benzoate

실험 절차

Prepared from methyl 3-bromo-5-(trifluoromethoxy)benzoate according to the procedure for methyl 3-cyano-5-isopropoxybenzoate. LCMS-ESI (m/z) calculated for C10H6F3NO3: 245.2; no m/z observed, tR=4.43 min. 1H NMR (400 MHz, CDCl3) δ 8.27 (t, J=1.4 Hz, 1H), 8.16-8.07 (m, 1H), 7.73-7.65 (m, 1H), 3.99 (s, 3H).

출처 및 근거

ORD 기록: ord-857628b4927f4b57b571aea15b72bbe2
출처 데이터셋: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08362048B2

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