15574-49-9
中文名稱
美卡比酯
英文名稱
Mecarbinate
CAS
15574-49-9
分子式
C13H15NO3
MDL 編號(hào)
MFCD00451373
分子量
233.26
MOL 文件
15574-49-9.mol
更新日期
2025/07/30 08:44:44
15574-49-9 結(jié)構(gòu)式
基本信息
中文別名
優(yōu)多降1,2-二甲基-5-羥基-3-吲哚甲酸乙酯
美卡比酯
英文別名
1,2-DIMETHYL-5-HYDROXYINDOLE-2-CARBOXYLATE ETHYLAKOS BBS-00002907
AKOS BC-3007
AURORA 23327
ETHYL 1,2-DIMETHYL-5-HYDROXYINDOLE-3-CARBOXYLATE
ETHYL 5-HYDROXY-1,2-DIMETHYL-1H-INDOLE-3-CARBOXYLATE
IFLAB-BB F1920-0014
5-hydroxy-1,2-dimethyl-1h-indole-3-carboxylicaciethylester
ba2676
dimecarbin
dimecarbine
dimekarbin
1,2-Dimethyl-5-Hydroxyindole-3-Carboxylate Ethyl
ETHYL5-HYDROXY-1,2DIMETHYLINDOLE-3-CARBOXYLATE
5-hydroxy-1,2-dimethyl-1H-Indole-3-carboxylic acid ethyl ester
5-OH-1,2-di-Me-Indole-3-carboxylic acid ester
Ethyl 1,2-dimethyl-5-hydroxyindole-2-carboxylate
Mecarbinate
1,2-DIMETHYL-5-HYDROXY-3-INDOLECARBOXYLIC ACID ETHYL ESTER
1,2-Dimethyl-3-carbetoxy-5-oxyindol
所屬類別
醫(yī)藥中間體：原料藥中間體物理化學(xué)性質(zhì)
熔點(diǎn)210.0 to 214.0 °C
沸點(diǎn)399.8±37.0 °C(Predicted)
密度1.20±0.1 g/cm3(Predicted)
儲(chǔ)存條件Inert atmosphere,Room Temperature
溶解度≥ 7.1mg/mL in DMSO
酸度系數(shù)(pKa)9.26±0.40(Predicted)
形態(tài)powder to crystal
顏色White to Orange to Green
檢測(cè)方法HPLC,NMR
InChIInChI=1S/C13H15NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-7,15H,4H2,1-3H3
InChIKeyYTBNTDMBGXAOCG-UHFFFAOYSA-N
SMILESN1(C)C2=C(C=C(O)C=C2)C(C(OCC)=O)=C1C
CAS 數(shù)據(jù)庫15574-49-9(CAS DataBase Reference)
制備方法
方法1
870-85-9
106-51-4
15574-49-9
合成方法：在250毫升圓底燒瓶中加入對(duì)苯醌（11.89克，0.11摩爾）和120毫升丙酮，攪拌均勻。隨后，緩慢滴加含有0.11摩爾3-(甲氨基)-2-丁烯酸乙酯的溶液。反應(yīng)混合物在30°C下攪拌反應(yīng)2小時(shí)。反應(yīng)完成后，通過蒸餾去除溶劑。粗產(chǎn)物采用丙酮進(jìn)行重結(jié)晶純化。
參考文獻(xiàn)：
[1] Patent: CN106946761, 2017, A. Location in patent: Paragraph 0047-0050
[2] Journal of Organic Chemistry, 1959, vol. 24, p. 1750
[3] Patent: US2852527, 1956,
[4] Zhurnal Obshchei Khimii, 1959, vol. 29, p. 2777,2780; engl. Ausg. S. 2742, 2744
[5] Tetrahedron Letters, 2009, vol. 50, # 28, p. 4182 - 4184