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Dichloromethane → 3-[2(R)-Amino-3-mercaptopropyl-amino]N-(2,3-dimethylphenyl)benzamide dihydrochloride

HRID 1780806
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HRID 1780806 반응식
C(OC([NH:8][C@@H:9]([CH2:29][S:30]C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[CH2:10][NH:11][C:12]1[CH:13]=[C:14]([CH:26]=[CH:27][CH:28]=1)[C:15]([NH:17][C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([CH3:24])[C:19]=1[CH3:25])=[O:16])=O)(C)(C)C.C([SiH](CC)CC)C.FC(F)(F)C(O)=O.C(Cl)[Cl:65]>>[ClH:65].[ClH:65].[NH2:8][C@@H:9]([CH2:29][SH:30])[CH2:10][NH:11][C:12]1[CH:13]=[C:14]([CH:26]=[CH:27][CH:28]=1)[C:15]([NH:17][C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([CH3:24])[C:19]=1[CH3:25])=[O:16]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 12052TriethylsilaneHCID 543382093-[2(R)-(t-butyloxycarbonylamino)-3-(triphenylmethyl-mercapto)propylamino]-N-(2, 3-dimethylphenyl)benzamide

생성물 1

HCID 228728543-[2(R)-Amino-3-mercaptopropyl-amino]N-(2,3-dimethylphenyl)benzamide dihydrochloride

실험 절차

To a solution of 3 (0.410 g ) in 10 mL of methylene chloride was added triethylsilane (0.200 g ) and 5 mL of trifluoroacetic acid. The solution was stirred for 45 min, evaporated in vacuo, and partitioned with hexane and 0.1% trifluoroacetic acid in water:methanol 2:1. The 0.1% trifluoroacetic acid/water: methanol solution was injected directly onto a Delta-Pak (C-18, 100 Å, 15 mm, 40mm×100mm) prep HPLC column. The gradient at 40 mL/min. was 100%A (0.1% trifluoroacetic acid/water) for 5 min. followed by 85% A to 50%A in 60 min. with B as 0.1% trifluoroacetic acid/acetonitrile. The pure fractions were pooled, evaporated in vacuo to near dryness, and then taken up in 5 mL of water. This water solution was passed through a 1.2 g column of Bio-Rad AG 3-X4 chloride anion exchange resin with water rinses. The resulting aqueous column eluant was lyophillized 20 h to yield the title compound as a solid. NMR (300 MHz, CD3OD)δ 7.30 (3H, m), 7.12 (3H, s), 6.97 (1H, m), 3.30 (3H, m), 2.90 (2H, m ), 2.30 (3H,s), 2.18 (3H, s).

후처리

  1. customevaporated in vacuo
  2. custompartitioned with hexane and 0.1% trifluoroacetic acid in water:methanol 2:1
  3. customfor 5 min.
  4. waitfollowed by 85% A to 50%A in 60 min. with B as 0.1% trifluoroacetic acid/acetonitrile
  5. customevaporated in vacuo
  6. waitThe resulting aqueous column eluant was lyophillized 20 h

출처 및 근거

ORD 기록
ord-fa5513113fc74a849383a3b1cc6ce33a
출처 데이터셋
uspto-grants-1997_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05631280

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