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Hydrochloric Acid → HCID 131711282, 화합물

HRID 1764788
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HRID 1764788 반응식
[NH:1](C(OC(C)(C)C)=O)[C@H:2]([C:13]([NH:15][C@H:16]([C:32]([OH:34])=[O:33])[CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:22]([O:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)=[O:23])=[O:14])[C@@H:3]([CH3:12])[O:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.Cl.[NH:43]([C:65]([O:67][C:68]([CH3:71])([CH3:70])[CH3:69])=[O:66])[C@H:44]([C:55]([O:57]N1C(=O)CCC1=O)=O)[C@@H:45]([CH3:54])[O:46][CH2:47][C:48]1[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=1.CCN(CC)CC>C1COCC1.CN(C=O)C.CCN(CC)CC.O.CCOC(C)=O.CC(O)=O>[NH:43]([C:65]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:66])[C@H:44]([C:55]([NH:1][C@H:2]([C:13]([NH:15][C@H:16]([C:32]([OH:34])=[O:33])[CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:22]([O:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)=[O:23])=[O:14])[C@@H:3]([CH3:12])[O:4][CH2:5][C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=1)=[O:57])[C@@H:45]([CH3:54])[O:46][CH2:47][C:48]1[CH:49]=[CH:50][CH:51]=[CH:52][CH:53]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

11

반응물 4

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 12879029Boc-Thr(Bzl)-OSuHCID 131711283HCID 131711283, 화합물

생성물 1

HCID 131711282HCID 131711282, 화합물

시약·촉매·용매 6

HCID 8471Triethylamine촉매
HCID 176
Acetic Acid
용매
HCID 962Water용매
HCID 6228Dimethylformamide용매
HCID 8028Tetrahydrofuran용매
HCID 8857Ethyl Acetate용매

실험 절차

Boc-Thr(Bzl)-Lys(Z)-OH (14.0 g, 24.5 mmol) was treated with 500 ml of 4.0 N HCl in THF for 30 minutes, evaporated to dryness, and re-evaporated twice with fresh THF. The oily residue solidified when treated with ether. The dried powder (11.4 g, 21.6 mmol) of the dipeptide hydrochloride salt was then dissolved in 140 ml DMF, cooled to 0°, and treated with Boc-Thr(Bzl)-OSu (8.8 g, 21.6 mmol) followed by 3.5 ml of Et3N. A few drops of Et3N was added to maintain a slightly basic condition while the mixture was stirred for an additional 24 hours at 25°. It was acidified with 5 ml of HOAc and then diluted with a large volume of water. The solid crude product precipitated was collected, dissolved in EtOAc, washed with H2O, dried over Na2SO4, and evaporated to dryness, leaving a glassy solid mass. Crystallized from EtOAc and petroleum ether: yield, 13.8 g (83.7%); mp 110°- 112°; [α]D25 = +19.45° (c 1, EtOAc).

후처리

  1. customevaporated to dryness
  2. customre-evaporated twice with fresh THF
  3. additiontreated with ether
  4. temperaturecooled to 0°
  5. temperatureto maintain a slightly basic condition while the mixture
  6. customThe solid crude product precipitated
  7. customwas collected
  8. dissolutiondissolved in EtOAc
  9. washwashed with H2O
  10. dry with materialdried over Na2SO4
  11. customevaporated to dryness
  12. customleaving a glassy solid mass
  13. customCrystallized from EtOAc and petroleum ether
  14. customyield

출처 및 근거

ORD 기록
ord-874099034c7349b897219820e42ef54f
출처 데이터셋
uspto-grants-1978_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04116951

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