tert-Butyl 4-aminobenzoate
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tert-Butyl 4-aminobenzoate 속성
- 녹는점
- 108-110 °C
- 끓는 점
- 322.4±15.0 °C(Predicted)
- 밀도
- 1.078±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 2.43±0.10(Predicted)
- 색상
- White to Light yellow to Light orange
- BRN
- 2803178
- CAS 데이터베이스
- 18144-47-3(CAS DataBase Reference)
안전
- 위험 및 안전 성명
- 위험 및 사전주의 사항 (GHS)
tert-Butyl 4-aminobenzoate C화학적 특성, 용도, 생산
용도
tert-Butyl 4-aminobenzoate can be used to synthesise structural units for antifolate and a novel liver-targeted coupling of PSN-357, a glycogen phosphorylase inhibitor for the treatment of diabetes. It can also be used in the synthesis of tert-butyl 4-aminobenzoate n-substituted derivatives[1].Synthesis
tert-Butyl 4-aminobenzoate is synthesised using tert-butyl 4-nitrobenzoate as raw material by chemical reaction. The specific synthesis steps are as follows:Tert-butyl 4-nitrobenzoate (4.75 g, 21.279 mmol) was dissolved in MeOH (200 ml) and added with CAUTION was Pd/C (475 mg, 0.1 equiv. w/w) and the flask evacuated prior to purging with N2, re-evacuation and purging with H2. The mixture was stirred under H2 for 5 hours until complete. The mixture was filtered through celite and evaporated to a white solid (4.11 g, 21.269 mmol, quant.). Rf 0.29 [20% EtOAc in Hexane]. Mp. I l l - 113 0C. 1H NMR (400 MHz, CDCl3) δ 7.79 (2H, dt, J=8.6, 2.3 Hz, 2ArH), 6.61 (2H, dt, J=8.6, 2.3 Hz, 2ArH), 4.00 (2H, br s, NH2), 1.56 (9H, s, C(CH3)3) ppm. 13C NMR (100 MHz, CDCl3) δ 165.9 (C=O), 150.4 (ArC), 131.3 (ArCH), 121.7 (ArC), 113.7 (ArCH), 80.0 (C(CH3)3), 28.3 (C(CH3)3) ppm. IR (neat) υmax 3415, 3345, 3235, 2972, 1682, 1598, 1367, 1287, 1154, 1115 cm 1. HRMS mJz calc. C11H15NO2 [M+l] 194.1176, found [M+l] 194.1179.
tert-Butyl 4-aminobenzoate 준비 용품 및 원자재
원자재
준비 용품
tert-Butyl 4-aminobenzoate 공급 업체
글로벌( 227)공급 업체
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