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【结 构 式】

【分子编号】57639

【品名】ethyl 3-[(2-aminoacetyl)amino]propanoate

【CA登记号】

【 分 子 式 】C7H14N2O3

【 分 子 量 】174.19984

【元素组成】C 48.26% H 8.1% N 16.08% O 27.55%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(IV)

Coupling between ethyl 3-aminopropionate (I) and N-Boc-glycine (II) by means of EDC and HOBt affords the protected dipeptide (III). After acidic Boc group cleavage in (III), the N-deprotected dipeptide (IV) is acylated by 3,3,3-triphenylpropionic acid (V) to produce amide (VI). Saponification of the ethyl ester group of (VI) yields acid (VII). This is coupled with (R)-1-Boc-3-(aminomethyl)piperidine (VIII) to afford amide (IX), which is further subjected to acidic N-Boc group cleavage. The resultant piperidine derivative (X) is then reductively condensed with cyclohexanecarboxaldehyde (XI) in the presence of NaBH(OAc)3 to furnish the title compound.

1 Kimura, T.; Noguchi, K.; Otake, N.; Uchiyama, M.; Naya, A.; Sagara, Y.; Numazawa, T.; Fujikawa, T. (Banyu Pharmaceutical Co., Ltd.); Novel amide derivs.. EP 1213281; WO 0107406 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 17639 beta-Alanine, ethyl ester; ethyl 3-aminopropanoate 924-73-2 C5H11NO2 详情 详情
(II) 18066 N-alpha-t-BOC-glycine; 2-[(tert-butoxycarbonyl)amino]acetic acid 4530-20-5 C7H13NO4 详情 详情
(III) 57638 ethyl 3-({2-[(tert-butoxycarbonyl)amino]acetyl}amino)propanoate C12H22N2O5 详情 详情
(IV) 57639 ethyl 3-[(2-aminoacetyl)amino]propanoate C7H14N2O3 详情 详情
(V) 57640 3,3,3-Triphenylpropionic acid; Tritylacetic acid 900-91-4 C21H18O2 详情 详情
(VI) 57641 ethyl 3-({2-[(3,3,3-triphenylpropanoyl)amino]acetyl}amino)propanoate C28H30N2O4 详情 详情
(VII) 57642 N-{2-[(3,3,3-triphenylpropanoyl)amino]acetyl}-beta-alanine C26H26N2O4 详情 详情
(VIII) 57643 tert-butyl (3R)-3-(aminomethyl)-1-piperidinecarboxylate C11H22N2O2 详情 详情
(IX) 57644 tert-butyl (3R)-3-({[3-({2-[(3,3,3-triphenylpropanoyl)amino]acetyl}amino)propanoyl]amino}methyl)-1-piperidinecarboxylate C37H46N4O5 详情 详情
(X) 57645 N-{2-oxo-2-[(3-oxo-3-{[(3S)piperidinylmethyl]amino}propyl)amino]ethyl}-3,3,3-triphenylpropanamide C32H38N4O3 详情 详情
(XI) 33694 cyclohexanecarbaldehyde 2043-61-0 C7H12O 详情 详情
Extended Information