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Ammonia → Methyl 3-(carbamoylamino)benzoate

HRID 418329
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HRID 418329 반응식
[CH3:1][O:2][C:3](=[O:13])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([N:10]=[C:11]=[O:12])[CH:5]=1.[NH3:14]>O1CCOCC1>[CH3:1][O:2][C:3](=[O:13])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([NH:10][C:11]([NH2:14])=[O:12])[CH:5]=1
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참가 물질

4

반응물 2

HCID 222AmmoniaHCID 2733366Methyl 3-isocyanatobenzoate

생성물 1

HCID 2822841Methyl 3-(carbamoylamino)benzoate

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

실험 절차

3-Isocyanato-benzoic acid methyl ester (500 mg, 2.82 mmol) was treated with 0.5 M NH3 in dioxane (20 mL). The mixture was agitated for 48 h, and the product, 3-ureido-benzoic acid methyl ester (200 mg, 1.03 mmol), was isolated by filtration as a white solid (404 mg, 73.7%). This intermediate was dissolved in methanol (2 mL) and Amberlyst A26® (OH− form) was added. The resulting mixture was agitated overnight. The resin was then filtered and washed with methanol (3×2 mL). The product was eluted with a solution of 20% formic acid in methanol (3×2 mL) and the resin was washed with methanol (1 mL) and DMF (2×2 mL). The combined eluant solvents were evaporated to provide 139 mg (75% yield) of the urea 3-ureido-benzoic acid. This reagent was then coupled with 3-aminomethyl-N-(4-dimethylaminomethyl-phenyl)-benzamide using the same coupling procedure described in Example 14 to provide the title compound; MS, electrospray, 446 (M+H)

출처 및 근거

ORD 기록
ord-9d5600e2a0e14733b249ce304c0cbeff
출처 데이터셋
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08093266B2

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