N-Boc-3,4-去氢-L-脯氨酸 | 74844-93-2
N-Boc-3,4-去氢-L-脯氨酸
(S)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
74844-93-2
C11H17NO4
227.25698
名称和标识符
MDL |
MFCD00080341 |
InChIKey |
YDQDZLXTPXNOKO-QMMMGPOBSA-N |
Inchi |
InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h5-6,8H,7H2,1-4H3/t8-/m0/s1 |
SMILES |
CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)OC |
别名信息
- 中文别名 -
- Boc-3,4-脱氢-L-脯氨酸甲酯
- BOC-4-去氢-L-脯氨酸
- N-Boc-3,4-去氢-L-脯氨酸
- (S)-1-叔丁基2-甲基1H-吡咯-1,2(2H,5H)-二羧酸酯
- 英文别名 -
- (S)-1-tert-Butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate
- (S)-2,5-DIHYDRO-PYRROLE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER
- 1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
- 1-O-tert-butyl 2-O-methyl (2S)-2,5-dihydropyrrole-1,2-dicarboxylate
- Boc-3,4-dehydro-L-proline methyl ester
- (2S)-N-(tert-Butoxycarbonyl)-2-methoxycarbonyl-3-pyrroline
- (S)-1-tert-Butyl 2-methyl 1H-pyrr
- (S)-N-Boc-3,4-dehydroprolone methyl ester
- (S)-N-Boc-3,4-didehydroproline methyl ester
- 1-TERT-BUTYL 2-METHYL (2S)-2,5-DIHYDRO-1H-PYRROLE-1,2-DICARBOXYLATE
- methyl (2S)-N-tert-butyloxycarbonyl-3,4-dehydroprolinate
- Methyl n-boc-l-proline-3-ene
- N-Boc-3,4-dehydro-L-proline methyl ester
- N-BOC-3,4-didehydro-(S)-proline methyl ester
- N-Boc-L-proline-3-ene
- AKOS015850999
- CS-0099904
- 74844-93-2
- (S)-2,5-dihydropyrrole-1,2-dicarboxylic Acid 1-tert-butyl ester 2-methyl ester
- SCHEMBL2559556
- (S)-1-tert-butyl 2-methyl 1H-pyrrole-1,2(2H, 5H)-dicarboxylate
- AKOS016010241
- YDQDZLXTPXNOKO-QMMMGPOBSA-N
- MFCD00080341
- 1-(tert-Butyl) 2-methyl (S)-2,5-dihydro-1H-pyrrole-1,2-dicarboxylate
- AS-38043
- (S)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
- (S)-1-tert-butyl 2-methyl 1H-pyrrole-1, 2(2H, 5H)-dicarboxylate
- DTXSID90439628
- (R)-Boc-3,4-dehydro-proline methyl ester
物化性质
实验特性
LogP |
1.27280 |
PSA |
55.84000 |
折射率 |
1.492 |
沸点 |
287.3±40.0 °C at 760 mmHg |
熔点 |
NA |
蒸气压 |
0.0±0.6 mmHg at 25°C |
闪点 |
127.6±27.3 °C |
颜色与性状 |
Colorless to Yellow Liquid |
密度 |
1.1±0.1 g/cm3 |
计算特性
精确分子量 |
227.11600 |
氢键供体数量 |
0 |
氢键受体数量 |
5 |
可旋转化学键数量 |
5 |
同位素质量 |
227.11575802g/mol |
重原子数量 |
16 |
复杂度 |
316 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
1 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.5 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
55.8Ų |
海关数据
海关编码 |
2933990090 |
海关数据 |
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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