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1,2-Dichloroethane → N-Boc-Tyr(Bn)-Ala-Trp-NH(CH2)4NHBoc

HRID 2074359
ノート
印刷プレビュー

反応式

HRID 2074359 の反応式
[NH2:1][C@H:2]([C:13]([NH:15][CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])=[O:14])[CH2:3][C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[NH:6][CH:5]=1.[NH:28]([C:53]([O:55][C:56]([CH3:59])([CH3:58])[CH3:57])=[O:54])[C@H:29]([C:45]([NH:47][C@H:48]([C:50](O)=[O:51])[CH3:49])=[O:46])[CH2:30][C:31]1[CH:36]=[CH:35][C:34]([O:37][CH2:38][C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)=[CH:33][CH:32]=1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1>C(Cl)Cl.CN(C=O)C>[NH:28]([C:53]([O:55][C:56]([CH3:57])([CH3:59])[CH3:58])=[O:54])[C@H:29]([C:45]([NH:47][C@H:48]([C:50]([NH:1][C@H:2]([C:13]([NH:15][CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])=[O:14])[CH2:3][C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[NH:6][CH:5]=1)=[O:51])[CH3:49])=[O:46])[CH2:30][C:31]1[CH:36]=[CH:35][C:34]([O:37][CH2:38][C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)=[CH:33][CH:32]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 111,2-DichloroethaneHCID 757711-HydroxybenzotriazoleHCID 16735218Trp-NH(CH2)4NHBocHCID 57611766N-Boc-Tyr(Bn)-Ala-OH

生成物 1

HCID 16735462N-Boc-Tyr(Bn)-Ala-Trp-NH(CH2)4NHBoc

試薬・触媒・溶媒 1

HCID 22350042
dichloromethane N,N-dimethylformamide
溶媒

実験手順

compound SP305R. Same procedure as above with Trp-NH(CH2)4NHBoc (204.6 mg, 0.546 mmol), N-Boc-Tyr(Bn)-Ala-OH (242 mg, 0.546 mmol), EDC (116 mg, 0.61 mmol) and HOBt (82.2 mg, 0.61 mmol) in CH2Cl2/DMF (2.2 mL, 1/1). The crude tripeptide (282 mg) can be recrystallized from hot THF to give a white solid as an analytical sample (89.1 mg, 31.5%). 1H NMR (300 MHz, DMSO-d6) δ 1.18-1.4 (m, 7H, 2 CH2 putrescine, CH3), 1.28 (s, 9H, (CH3)3), 1.37 (s, 9H, (CH3)3), 2.61 (m, 1H, CH2 Tyr or Trp), 2.85-3.1 (m, 7H, CH2 Tyr, CH2 Trp, 2 CH2 putrescine), 4.08 (m, 1H, CHα), 4.29 (m, 1H, CHα), 4.45 (m, 1H, CHα), 5.03 (s, 2H, CH2 (Bn)), 6.73 (m, 1H), 6.87-7.43 (m, 14 aromatic H), 7.56 (d, J=7.7 Hz, 1H), 7.83 (m, 1H), 7.99 (m, 2H), 10.8 (s, 1NH). 13C NMR (75 MHz, DMSO-d6) δ 18.2 (CH3), 26.2, 26.8 (2 CH2 putrescine), 28.1 (CH2 Trp), 28.2 ((CH3)3), 36.3 (CH2 Tyr), 38.2, 39.2 (2 CH2 putrescine), 48.2, 53.4, 55.8 (CHα Ala, Tyr, Trp), 69 (CH2 (Bn)), 77.3, 78 (2 C(CH3)3), 109.8, 111.1, 114.2, 118.1, 118.4, 120.7, 123.4, 127.3, 127.5, 127.7, 128.3, 130.1, 130.3, 136, 137.2 (19 aromatic C), 155.2, 155.5, 156.8 (Car-O, 2 CO carbamate), 170.7, 171.4, 171.8 (3 CO amide). Anal. Calcd. for C44H58N6O8: C, 66.14; H, 7.32; N, 10.52. Found: C, 65.89; H, 7.34; N, 10.77.

後処理

  1. customThe crude tripeptide (282 mg) can be recrystallized from hot THF
  2. customto give a white solid as an analytical sample (89.1 mg, 31.5%)

出典と根拠

ORDレコード
ord-1ba4432e3ccf415ba7d6583afd78c202
出典データセット
uspto-grants-2011_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07919468B2

反応ノート

読み込み中…

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