6,7-二氢噻唑并[5,4-c]吡啶-2,5(4H)-二甲酸 5-叔丁酯 2-乙酯 | 1053656-51-1
6,7-二氢噻唑并[5,4-c]吡啶-2,5(4H)-二甲酸 5-叔丁酯 2-乙酯
O5-tert-butyl O2-ethyl 6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2,5-dicarboxylate
1053656-51-1
C14H20N2O4S
312.3846
名称和标识符
MDL |
MFCD11109462 |
InChIKey |
ZCUHIQJCEMMTLK-UHFFFAOYSA-N |
Inchi |
1S/C14H20N2O4S/c1-5-19-12(17)11-15-9-6-7-16(8-10(9)21-11)13(18)20-14(2,3)4/h5-8H2,1-4H3 |
SMILES |
S1C(C(=O)OC([H])([H])C([H])([H])[H])=NC2=C1C([H])([H])N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H] |
别名信息
- 中文别名 -
- 6,7-二氢噻唑并[5,4-c]吡啶-2,5(4H)-二甲酸 5-叔丁酯 2-乙酯
- 5-叔丁基 2-乙基 6,7-二氢噻唑并[5,4-C]吡啶-2,5(4H)-二甲酯
- 6,7-二氢-噻唑并[5,4-c]吡啶-2,5(4H)-二羧酸-5-(1,1-二甲基乙基)-2-乙酯
- 乙基 5-Boc-4,5,6,7-四氢-1,3-噻唑并[5,4-c]吡啶-2-甲酸酯
- 5-Boc-4,5,6,7-四氢噻唑并[5,4-c]吡啶-2-甲酸乙酯
- 5-BOC-4,5,6,7-四氢-1,3-噻唑并[5,4-C]吡啶-2-甲酸乙酯
- 英文别名 -
- 5-tert-Butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
- 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
- 5-tert-Butyl 2-ethyl 6,7-dihydrothiazolo-[5,4-c]pyridine-2,5(4H)-dicarboxylate
- Thiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) 2-ethyl ester
- Ethyl 5-Boc-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate
- 5-tert-Butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)
- Ethyl 5-Boc-4,5,6,7-tetrahydro-1,3-thiazolo[5,4-c]pyridine-2-carboxylate
- 5-tert-butyl 2-ethyl 4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
- 6,7-Dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylic acid 5-(tert-butyl) 2-ethyl ester
- PubChem15958
- BCP14938
- TRA0061775
- SY004975
- AB1000306
- AX8158811
- Y6630
- ST24044950
- O5-tert-butyl O2-ethyl 6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2,5-dicarboxylate
- 6-Boc-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridine-2-carboxylic acid ethyl ester
- FT-0649027
- AMY20502
- 1053656-51-1
- DTXSID00670505
- Ethyl5-Boc-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate
- CS-0044451
- SCHEMBL978537
- MFCD11109462
- AKOS015854295
- AC-29522
- 5-tert-butyl 2-ethyl 6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-2,5(4h)-dicarboxylate
- 5-TERT-BUTYL 2-ETHYL 6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-2,5(4H)-DICARBOXYLATE
物化性质
实验特性
LogP |
2.55090 |
PSA |
96.97000 |
沸点 |
429.0±55.0℃ at 760 mmHg |
熔点 |
No data available |
蒸气压 |
No data available |
闪点 |
No data available |
颜色与性状 |
No data avaiable |
密度 |
1.241 |
计算特性
精确分子量 |
312.11400 |
氢键供体数量 |
0 |
氢键受体数量 |
6 |
可旋转化学键数量 |
5 |
同位素质量 |
312.114 |
重原子数量 |
21 |
复杂度 |
410 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
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) |
2.3 |
拓扑分子极性表面积 |
97 |
海关数据
海关编码 |
2934999090 |
海关数据 |
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 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
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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