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Hydrochloric Acid → Ethyl beta-[[3-[4-(aminoiminomethyl)benzyl]aminobenzoyl]amino]propanoate

HRID 726715
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HRID 726715 반응식
[C:1]([C:3]1[CH:19]=[CH:18][C:6]([CH2:7][NH:8][C:9]2[CH:10]=[C:11]([CH:15]=[CH:16][CH:17]=2)[C:12]([OH:14])=O)=[CH:5][CH:4]=1)#[N:2].[CH2:20]([O:22][C:23](=[O:27])[CH2:24][CH2:25][NH2:26])[CH3:21].Cl.C([N:32](CC)C(C)C)(C)C.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.[Cl-].[NH4+].[OH-].[NH4+]>CN(C)C=O.C(O)C>[NH2:32][N:2]=[CH:1][C:3]1[CH:4]=[CH:5][C:6]([CH2:7][NH:8][C:9]2[CH:10]=[C:11]([CH:15]=[CH:16][CH:17]=2)[C:12]([NH:26][CH2:25][CH2:24][C:23]([O:22][CH2:20][CH3:21])=[O:27])=[O:14])=[CH:18][CH:19]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

10

반응물 7

HCID 313Hydrochloric Acid2회HCID 14923Ammonium HydroxideHCID 25517Ammonium ChlorideHCID 81531DiisopropylethylamineHCID 151348Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphateHCID 419889Ethyl 3-aminopropanoate
HCID 19707399
3-[4-Cyanobenzyl]aminobenzoic acid

생성물 1

HCID 86751962Ethyl beta-[[3-[4-(aminoiminomethyl)benzyl]aminobenzoyl]amino]propanoate

시약·촉매·용매 2

HCID 702Ethanol용매2회HCID 6228Dimethylformamide용매

실험 절차

3-[4-cyanobenzyl]aminobenzoic acid (0.25 g; 1 mmol), β-alanine ethyl ester.HCl (0.15 g; 1 mmol), N,N-diisopropylethylamine (0.26 g; 2 mmoles) and benzotriazol-1-yl-oxy-tris(dimethylamino)phosphonium hexafluorophosphate (0.44 g; 1 mmol) were stirred in N,N-dimethylformamide (25 ml) at room temperature for 1 hr. The reaction mixture was taken down to dryness and the residue was redissolved in ethanol (30 ml). The solution was saturated with HCl gas and allowed to stir overnight. The mixture was taken down to dryness and the residue was redissolved in ethanol (20 ml). To this solution, ammonium chloride (1 g) and ammonium hydroxide (10 ml) were added. The reaction mixture was stirred at room temperature overnight and the solvent was removed under reduced pressure. The residue was purified by HPLC using acetonitrile/water/trifluoroacetic acid system. The desired fractions were collected and lyophilized to give 190 mg of white material. FAB-MS: MH+ =369.5

후처리

  1. stirringThe reaction mixture was stirred at room temperature overnight
  2. customthe solvent was removed under reduced pressure
  3. customThe residue was purified by HPLC
  4. customThe desired fractions were collected

출처 및 근거

ORD 기록
ord-7cabe7f0fa1240cb939f9cdd23059fa5
출처 데이터셋
uspto-grants-1998_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05710166

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