HCID 53248046, 화합물 → 4-Azido-2-sulfobutanoic acid

반응식

[N:1]([CH2:4][CH2:5][CH:6]([S:11]([OH:14])(=[O:13])=[O:12])[C:7]([O:9]C)=[O:8])=[N+:2]=[N-:3]>Cl>[N:1]([CH2:4][CH2:5][CH:6]([S:11]([OH:14])(=[O:12])=[O:13])[C:7]([OH:9])=[O:8])=[N+:2]=[N-:3]

참가 물질

반응 조건

온도: 100 °C

실험 절차

Methyl 4-azido-2-sulfo-butyrate (1.00 g, 4.08 mmol) in the mixture of HCl (50 ml, 1.0 M) and HAC (5 ml) was heated at 100° C. for 8 hrs. The mixture was evaporated and co-evaporated 3×50 ml of water, and crystallized with water/acetone to afford 1.0 g (99%) of the title compound. 1H NMR (DMF-d7): 3.60 (m, 2H), 3.52 (m, 1H), 2.24 (m, 2H). 13C NMR 170.96, 63.04, 50.66, 29.12. ESI MS m/z−207.7 (MW−H); HRMS m/z−(C4H7N3O5S−H) calcd 208.0028, found 208.0021.

후처리

customThe mixture was evaporated
customco-evaporated 3×50 ml of water, and crystallized with water/acetone

출처 및 근거

ORD 기록: ord-adbd49ad436e4b77987de477d8c575e6
출처 데이터셋: uspto-grants-2012_08
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08236319B2

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참가 물질

반응물 1

HCID 53248046HCID 53248046, 화합물

생성물 1

HCID 532480474-Azido-2-sulfobutanoic acid수율 117.2%

시약·촉매·용매 1

HCID 313Hydrochloric Acid용매

반응 조건

온도: 100 °C

실험 절차

후처리

customThe mixture was evaporated
customco-evaporated 3×50 ml of water, and crystallized with water/acetone

출처 및 근거

ORD 기록: ord-adbd49ad436e4b77987de477d8c575e6
출처 데이터셋: uspto-grants-2012_08
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08236319B2

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불러오는 중…