ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Triethylamine → tert-butyl (S)-1-((3R,3aR,6aR)-3-hydroxydihydro-2H-furo[3,2-b]pyrrol-4(5H,6H, 6aH)-yl)-4,4-dimethyl-1-oxopentan-2-ylcarbamate

HRID 555247
ノート
印刷プレビュー

反応式

HRID 555247 の反応式
F[C:2](=[O:17])[C@@H:3]([NH:9][C:10](=[O:16])[O:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:4][C:5]([CH3:8])([CH3:7])[CH3:6].Cl.[O:19]1[C@H:26]2[C@H:22]([NH:23][CH2:24][CH2:25]2)[C@@H:21]([OH:27])[CH2:20]1.C(N(CC)CC)C>CN(C)C=O>[OH:27][C@@H:21]1[C@H:22]2[N:23]([C:2](=[O:17])[C@@H:3]([NH:9][C:10](=[O:16])[O:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:4][C:5]([CH3:8])([CH3:7])[CH3:6])[CH2:24][CH2:25][C@H:26]2[O:19][CH2:20]1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 8471TriethylamineHCID 66986936(3R,3aR,6aR)-hexahydro-2H-furo[3,2-b]pyrrol-3-ol hydrochlorideHCID 86644674(S)-tert-butyl 1-fluoro-4,4-dimethyl-1-oxopentan-2-ylcarbamate

生成物 1

HCID 86644673tert-butyl (S)-1-((3R,3aR,6aR)-3-hydroxydihydro-2H-furo[3,2-b]pyrrol-4(5H,6H, 6aH)-yl)-4,4-dimethyl-1-oxopentan-2-ylcarbamate収率 57%

試薬・触媒・溶媒 1

HCID 6228
Dimethylformamide
溶媒

実験手順

Preparation of tert-Butyl (S)-1-((3R,3aR,6aR)-3-hydroxydihydro-2H-furo[3,2-b]pyrrol-4(5H,6H,6aH)-yl)-4-dimethyl-1-oxopentan-2-ylcarbamate. A solution of (S)-tert-butyl 1-fluoro-4,4-dimethyl-1-oxopentan-2-ylcarbamate (0.69 g, 2.80 mmol) in dimethylformamide (10 mL) was added under argon to (3R,3aR,6aR)-hexahydro-2H-furo[3,2-b]pyrrol-3-ol hydrochloride (prepared as above with appropriate scaling of quantities, assumed to be 2.67 mmol). The mixture was stirred for 5.25 hours (a 0.2 mL aliquot was removed after 4.5 hours) then triethylamine (0.37 mL, 2.66 mmol) was added dropwise over 1 minute. The mixture was stirred for 15 minutes then the solvents removed in vacuo to leave a brown oily residue. Flash chromatography over silica, eluting with ethyl acetate:pentane mixtures 20:80 to 80:20 gave tert-butyl (S)-1-((3R,3aR,6aR)-3-hydroxydihydro-2H-furo[3,2-b]pyrrol-4(5H,6H, 6aH)-yl)-4,4-dimethyl-1-oxopentan-2-ylcarbamate as a white solid (540 mg, 57%). TLC (Rf=0.30, EtOAc:heptane 3:1), analytical HPLC doublet main peak, Rt=14.02 and 14.27 min., HPLC-MS 301.2 [M+2H-tBu]+, 357.3 [M+H]+, 379.2 [M+Na], 735.5 [2M+Na]+; [α]D16.5 −37.2° (c=4.97, CHCl3); δH (500 MHz, CDCl3) mixture of rotamers major:minor 3:2; 0.95 (9H, s, CH2C(CH3)3), 1.39 (9H, s, OC(CH3)3), 1.38-1.52 (1.4H, m, CH2C(CH3)3), 1.58 (0.6H, dd, J=14.63 and 9.24 Hz, CH2C (CH3)3), 1.74-1.82 (0.6H, m, NCH2CH2CH major), 2.03 (1H, dd, J=13.83 and 6.15 Hz, NCH2CH2CH major), 1.96-2.06 (0.4H, m, NCH2CH2CH minor), 2.15 (0.4H, dd, J=13.85 and 6.35 Hz, NCH2CH2CH minor), 3.06 (0.4H, d, J=2.08 Hz, OH minor), 3.21-3.27 (0.6H, m, NCH2CH2CH major), 3.39-3.46 (0.4H, m, NCH2CH2CH minor), 3.46-3.51 (0.6H, m, OCH2CHOH major), 3.61 (0.4H, dd, J=9.62 and 5.52 Hz, OCH2CHOH minor), 3.85 (0.6H, dd, J=11.89 and 8.52 Hz, NCH2CH2CH major), 3.91 (0.4H, brt, J=9.21 Hz, NCH2CH2CH minor), 4.02 (0.4H, dd, J=9.60 and 5.73 Hz, OCH2CHOH minor), 4.14-4.24 (2.6H, m, OCH2CHOHCH and 1×OCH2CHOH major), 4.48-4.53 (0.4H, m, CHCH2C(CH3)3 minor), 4.65-4.75 (1.6H, m, NCH2CH2CH and CHCH2C(CH3)3 major), 5.10 (0.4H, d, J=9.31 Hz, NH minor), 5.23 (0.6H, d, J=10.22 Hz, NH major), 5.53 (0.6H, d, J=4.93 Hz, OH major); δC (125 MHz, CDCl3) 28.26/28.35 (OC(CH3)3), 29.72/29.84 (CH2C(CH3)3), 29.96/31.57 (NCH2CH2CH), 30.54/30.63 (CH2C(CH3)3), 44.01/45.52 (NCH2CH2CH) 46.18/47.02 (CH2C(CH3)3), 49.32/49.41 (CHCH2C(CH3)3), 71.09/71.35 (NCH2CH2CHCH), 73.03/73.96 (OCH2CHOH), 77.21/79.61 (CHOH), 79.76/80.79 (OC(CH3)3), 81.02/83.43 (NCH2CH2CH), 155.24/156.10 (Boc C═O), 172.22/172.87 (CH2NC═O).

後処理

  1. additionwas added dropwise over 1 minute
  2. stirringThe mixture was stirred for 15 minutes
  3. customthe solvents removed in vacuo
  4. customto leave a brown oily residue
  5. washFlash chromatography over silica, eluting with ethyl acetate

出典と根拠

ORDレコード
ord-18b8388df4904fc981feccd30898d88e
出典データセット
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08053437B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート