HRID1158413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61207

tert-Butyl Formate

C5H10O2

HCID84152

Methyl 3-hydroxypivalate

C6H12O3

HCID94429

Triphosgene

C3Cl6O3

结构：COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CNC2CC2)C(C)C)ccc1OC

HCID68616408

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN(C(=O)OCC(C)(C)C(=O)OC)C2CC2)C(C)C)ccc1OC

HCID68616980

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID6342

Acetonitrile

C2H3N

2 次

溶剂HCID18373917

Acetonitrile--water (1/1)

C2H5NO

PROCEDURE

实验过程

The title compound is prepared analogously as described above for NVP-BGW706 from ((3R*,4R*)-3-cyclopropylaminomethyl-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester and methyl 2,2-dimethyl-3-hydroxypropionate using bis(trichloromethyl) carbonate. MS (LC-MS): 592.1 [M+H-Boc]+; tR (HPLC, Macherey-Nagel Nucleosil C18 column, 10-100% CH3CN/H2O/5 min, 100% CH3CN/3 min, CH3CN and H2O containing 0.1% TFA, flow: 1.5 ml/min): 5.92 min.

WORKUP

后处理

custom5.92 min.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-965cfc24a3234eb79399368a17430b45
来源数据集: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07807709B2
来源说明: uspto-grants-2010_10

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH:31]([CH3:33])[CH3:32])[C:15](=[O:30])[C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[CH:17]=2)[C@H:10]([CH2:34][NH:35][CH:36]2[CH2:38][CH2:37]2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:39][C:40]([CH3:47])([CH2:45][OH:46])[C:41]([O:43][CH3:44])=[O:42].[C:48](=O)(OC(Cl)(Cl)Cl)[O:49]C(Cl)(Cl)Cl.C(OC(C)(C)C)=O>O.CC#N.CC#N.O>[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH:31]([CH3:32])[CH3:33])[C:15](=[O:30])[C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[CH:17]=2)[C@H:10]([CH2:34][N:35]([CH:36]2[CH2:37][CH2:38]2)[C:48]([O:46][CH2:45][C:40]([C:41]([O:43][CH3:44])=[O:42])([CH3:47])[CH3:39])=[O:49])[CH2:9]1)=[O:7])([CH3:3])([CH3:4])[CH3:2]