L-Alanine → HCID 86713104, 화합물

HRID 1399436

반응식

HRID 1399436 반응식
[NH2:1][C@H:2]([C:4]([OH:6])=[O:5])[CH3:3].[C:7]([O-:10])([O-])=O.[Na+].[Na+].[N+:13]([C:16]1[CH:24]=[CH:23][CH:22]=[C:21]([N+:25]([O-:27])=[O:26])[C:17]=1C(O)=O)([O-:15])=[O:14]>[N+](C1C=C([N+]([O-])=O)C=CC=1C(Cl)=O)([O-])=O>[N+:13]([C:16]1[CH:17]=[C:21]([N+:25]([O-:27])=[O:26])[CH:22]=[CH:23][C:24]=1[C:7]([NH:1][C@@H:2]([CH3:3])[C:4]([OH:6])=[O:5])=[O:10])([O-:15])=[O:14]

참가 물질

5

반응물 3

HCID 5950L-AlanineHCID 10340Sodium CarbonateHCID 119206Benzoic acid, 2,6-dinitro-

생성물 1

HCID 86713104HCID 86713104, 화합물

시약·촉매·용매 1

HCID 884012,4-Dinitrobenzoyl chloride용매

실험 절차

The reaction of 2,4-dinitrobenzoyl chloride (prepared from 2,4-dinitrobenzoic acid, 2 g and SOCl2, 20 mL) with L-alanine (1.04 g, 11.79 mmol) in the presence of Na2CO3 (1.24 g, 11.79 mmol) as described in intermediate 2 gave the title compound as an off-white color solid (2.08 g, 78%), mp 194-196° C. 1H NMR (400 MHz, DMSO-d6): δ 12.77 (1H, s), 9.25 (1H, d, J=7.6 Hz), 8.77 (1H, d, J=2.0 Hz), 8.63 (1H, dd, J=8.4, 2.0 Hz), 7.87 (1H, d, J=8.4 Hz), 4.44 (1H, pentet, J=7.3 Hz), 1.38 (3H, d, J=7.2 Hz); LC-MS (negative ion mode): m/z 282 (M−H)−.

출처 및 근거

ORD 기록
ord-00e1b45795124920bf4c88c1e0afe130
출처 데이터셋
uspto-grants-2014_12
특허 번호
US08906344B2

연결된 노트

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