1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯
1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯结构式
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常用名 | 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯 | 英文名 | TERT-BUTYL (1-CYANO-3-CYCLOBUTYL-1-HYDROXYPROPAN-2-YL)CARBAMATE |
|---|---|---|---|---|
| CAS号 | 394735-20-7 | 分子量 | 254.32500 | |
| 密度 | 1.115g/cm3 | 沸点 | 430.9ºC at 760 mmHg | |
| 分子式 | C13H22N2O3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 214.4ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 中文名 | 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯 |
|---|---|
| 英文名 | N-[2-Cyano-1-(cyclobutylmethyl)-2-hydroxyethyl]-carbamic Acid 1,1-Dimethylethyl Ester |
| 英文别名 | 更多 |
本表包含该物质理化参数，如熔点、沸点、密度、溶解度、旋光性等理化指标，无数据项标记为N/A。
| 密度 | 1.115g/cm3 |
|---|---|
| 沸点 | 430.9ºC at 760 mmHg |
| 分子式 | C13H22N2O3 |
| 分子量 | 254.32500 |
| 闪点 | 214.4ºC |
| 精确质量 | 254.16300 |
| PSA | 85.84000 |
| LogP | 2.15878 |
| InChIKey | LZUUVDRIDDRQHN-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)NC(CC1CCC1)C(O)C#N |
| 折射率 | 1.498 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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1-氰基-3-环丁基-1-羟基... 394735-20-7 |
| 文献：Venkatraman, Srikanth; Njoroge, F. George; Wu, Wanli; Girijavallabhan, Viyyoor; Prongay, Andrew J.; Butkiewicz, Nancy; Pichardo, John Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 6 p. 1628 - 1632 |
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1-氰基-3-环丁基-1-羟基... 394735-20-7 |
| 文献：Venkatraman, Srikanth; Bogen, Stephane L.; Arasappan, Ashok; Bennett, Frank; Chen, Kevin; Jao, Edwin; Liu, Yi-Tsung; Lovey, Raymond; Hendrata, Siska; Huang, Yuhua; Pan, Weidong; Parekh, Tejal; Pinto, Patrick; Popov, Veljko; Pike, Russel; Ruan, Sumei; Santhanam, Bama; Vibulbhan, Bancha; Wu, Wanli; Yang, Weiying; Kong, Jianshe; Liang, Xiang; Wong, Jesse; Liu, Rong; Butkiewicz, Nancy; Chase, Robert; Hart, Andrea; Agrawal, Sony; Ingravallo, Paul; Pichardo, John; Kong, Rong; Baroudy, Bahige; Malcolm, Bruce; Guo, Zhuyan; Prongay, Andrew; Madison, Vincent; Broske, Lisa; Cui, Xiaoming; Cheng, Kuo-Chi; Hsieh, Yunsheng; Brisson, Jean-Marc; Prelusky, Danial; Korfmacher, Walter; White, Ronald; Bogdanowich-Knipp, Susan; Pavlovsky, Anastasia; Bradley, Prudence; Saksena, Anil K.; Ganguly, Ashit; Piwinski, John; Girijavallabhan, Viyyoor; Njoroge, F. George Journal of Medicinal Chemistry, 2006 , vol. 49, # 20 p. 6074 - 6086 |
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1-氰基-3-环丁基-1-羟基... 394735-20-7 |
| 文献：Venkatraman, Srikanth; Bogen, Stephane L.; Arasappan, Ashok; Bennett, Frank; Chen, Kevin; Jao, Edwin; Liu, Yi-Tsung; Lovey, Raymond; Hendrata, Siska; Huang, Yuhua; Pan, Weidong; Parekh, Tejal; Pinto, Patrick; Popov, Veljko; Pike, Russel; Ruan, Sumei; Santhanam, Bama; Vibulbhan, Bancha; Wu, Wanli; Yang, Weiying; Kong, Jianshe; Liang, Xiang; Wong, Jesse; Liu, Rong; Butkiewicz, Nancy; Chase, Robert; Hart, Andrea; Agrawal, Sony; Ingravallo, Paul; Pichardo, John; Kong, Rong; Baroudy, Bahige; Malcolm, Bruce; Guo, Zhuyan; Prongay, Andrew; Madison, Vincent; Broske, Lisa; Cui, Xiaoming; Cheng, Kuo-Chi; Hsieh, Yunsheng; Brisson, Jean-Marc; Prelusky, Danial; Korfmacher, Walter; White, Ronald; Bogdanowich-Knipp, Susan; Pavlovsky, Anastasia; Bradley, Prudence; Saksena, Anil K.; Ganguly, Ashit; Piwinski, John; Girijavallabhan, Viyyoor; Njoroge, F. George Journal of Medicinal Chemistry, 2006 , vol. 49, # 20 p. 6074 - 6086 |
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1-氰基-3-环丁基-1-羟基... 394735-20-7 |
| 文献：Venkatraman, Srikanth; Bogen, Stephane L.; Arasappan, Ashok; Bennett, Frank; Chen, Kevin; Jao, Edwin; Liu, Yi-Tsung; Lovey, Raymond; Hendrata, Siska; Huang, Yuhua; Pan, Weidong; Parekh, Tejal; Pinto, Patrick; Popov, Veljko; Pike, Russel; Ruan, Sumei; Santhanam, Bama; Vibulbhan, Bancha; Wu, Wanli; Yang, Weiying; Kong, Jianshe; Liang, Xiang; Wong, Jesse; Liu, Rong; Butkiewicz, Nancy; Chase, Robert; Hart, Andrea; Agrawal, Sony; Ingravallo, Paul; Pichardo, John; Kong, Rong; Baroudy, Bahige; Malcolm, Bruce; Guo, Zhuyan; Prongay, Andrew; Madison, Vincent; Broske, Lisa; Cui, Xiaoming; Cheng, Kuo-Chi; Hsieh, Yunsheng; Brisson, Jean-Marc; Prelusky, Danial; Korfmacher, Walter; White, Ronald; Bogdanowich-Knipp, Susan; Pavlovsky, Anastasia; Bradley, Prudence; Saksena, Anil K.; Ganguly, Ashit; Piwinski, John; Girijavallabhan, Viyyoor; Njoroge, F. George Journal of Medicinal Chemistry, 2006 , vol. 49, # 20 p. 6074 - 6086 |
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1-氰基-3-环丁基-1-羟基... 394735-20-7 |
| 文献：Venkatraman, Srikanth; Bogen, Stephane L.; Arasappan, Ashok; Bennett, Frank; Chen, Kevin; Jao, Edwin; Liu, Yi-Tsung; Lovey, Raymond; Hendrata, Siska; Huang, Yuhua; Pan, Weidong; Parekh, Tejal; Pinto, Patrick; Popov, Veljko; Pike, Russel; Ruan, Sumei; Santhanam, Bama; Vibulbhan, Bancha; Wu, Wanli; Yang, Weiying; Kong, Jianshe; Liang, Xiang; Wong, Jesse; Liu, Rong; Butkiewicz, Nancy; Chase, Robert; Hart, Andrea; Agrawal, Sony; Ingravallo, Paul; Pichardo, John; Kong, Rong; Baroudy, Bahige; Malcolm, Bruce; Guo, Zhuyan; Prongay, Andrew; Madison, Vincent; Broske, Lisa; Cui, Xiaoming; Cheng, Kuo-Chi; Hsieh, Yunsheng; Brisson, Jean-Marc; Prelusky, Danial; Korfmacher, Walter; White, Ronald; Bogdanowich-Knipp, Susan; Pavlovsky, Anastasia; Bradley, Prudence; Saksena, Anil K.; Ganguly, Ashit; Piwinski, John; Girijavallabhan, Viyyoor; Njoroge, F. George Journal of Medicinal Chemistry, 2006 , vol. 49, # 20 p. 6074 - 6086 |
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1-氰基-3-环丁基-1-羟基... 394735-20-7 |
| 文献：Venkatraman, Srikanth; Bogen, Stephane L.; Arasappan, Ashok; Bennett, Frank; Chen, Kevin; Jao, Edwin; Liu, Yi-Tsung; Lovey, Raymond; Hendrata, Siska; Huang, Yuhua; Pan, Weidong; Parekh, Tejal; Pinto, Patrick; Popov, Veljko; Pike, Russel; Ruan, Sumei; Santhanam, Bama; Vibulbhan, Bancha; Wu, Wanli; Yang, Weiying; Kong, Jianshe; Liang, Xiang; Wong, Jesse; Liu, Rong; Butkiewicz, Nancy; Chase, Robert; Hart, Andrea; Agrawal, Sony; Ingravallo, Paul; Pichardo, John; Kong, Rong; Baroudy, Bahige; Malcolm, Bruce; Guo, Zhuyan; Prongay, Andrew; Madison, Vincent; Broske, Lisa; Cui, Xiaoming; Cheng, Kuo-Chi; Hsieh, Yunsheng; Brisson, Jean-Marc; Prelusky, Danial; Korfmacher, Walter; White, Ronald; Bogdanowich-Knipp, Susan; Pavlovsky, Anastasia; Bradley, Prudence; Saksena, Anil K.; Ganguly, Ashit; Piwinski, John; Girijavallabhan, Viyyoor; Njoroge, F. George Journal of Medicinal Chemistry, 2006 , vol. 49, # 20 p. 6074 - 6086 |
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1-氰基-3-环丁基-1-羟基... 394735-20-7 |
| 文献：Venkatraman, Srikanth; Bogen, Stephane L.; Arasappan, Ashok; Bennett, Frank; Chen, Kevin; Jao, Edwin; Liu, Yi-Tsung; Lovey, Raymond; Hendrata, Siska; Huang, Yuhua; Pan, Weidong; Parekh, Tejal; Pinto, Patrick; Popov, Veljko; Pike, Russel; Ruan, Sumei; Santhanam, Bama; Vibulbhan, Bancha; Wu, Wanli; Yang, Weiying; Kong, Jianshe; Liang, Xiang; Wong, Jesse; Liu, Rong; Butkiewicz, Nancy; Chase, Robert; Hart, Andrea; Agrawal, Sony; Ingravallo, Paul; Pichardo, John; Kong, Rong; Baroudy, Bahige; Malcolm, Bruce; Guo, Zhuyan; Prongay, Andrew; Madison, Vincent; Broske, Lisa; Cui, Xiaoming; Cheng, Kuo-Chi; Hsieh, Yunsheng; Brisson, Jean-Marc; Prelusky, Danial; Korfmacher, Walter; White, Ronald; Bogdanowich-Knipp, Susan; Pavlovsky, Anastasia; Bradley, Prudence; Saksena, Anil K.; Ganguly, Ashit; Piwinski, John; Girijavallabhan, Viyyoor; Njoroge, F. George Journal of Medicinal Chemistry, 2006 , vol. 49, # 20 p. 6074 - 6086 |
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1-氰基-3-环丁基-1-羟基... 394735-20-7 |
| 文献：MSN LABORATORIES LIMITED; THIRUMALAI RAJAN, Srinivasan; ESWARAIAH, Sajja; VENKAT REDDY, Ghojala; SAHADEVA REDDY, Maramreddy Patent: WO2014/61034 A1, 2014 ; |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 9 | |
|---|---|
| 下游产品 2 | |
CAS号394735-22-9
CAS号394730-60-0本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| tert-butyl N-(1-cyano-3-cyclobutyl-1-hydroxypropan-2-yl)carbamate |
本部分为该化合物相关常见问答，包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯的下游产品有哪些？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯相关下游产品（CAS）：394735-22-9;394730-60-0。 |
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯的SMILES表达式是什么？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯SMILES表达式为CC(C)(C)OC(=O)NC(CC1CCC1)C(O)C#N。 |
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯的InChIKey是什么？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯InChIKey为LZUUVDRIDDRQHN-UHFFFAOYSA-N。 |
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯的上游原料有哪些？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯相关上游原料（CAS）：394735-19-4;75-86-5;565456-75-9;394735-18-3;17247-58-4;394735-17-2;816430-02-1;1025799-39-6;24424-99-5。 |
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯的沸点是多少？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯沸点为430.9ºC at 760 mmHg。 |
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯的分子量是多少？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯分子量为254.32500。 |
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯的极性表面积PSA是多少？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯极性表面积PSA为85.84000。 |
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯有哪些英文别名？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯英文别名有：tert-butyl N-(1-cyano-3-cyclobutyl-1-hydroxypropan-2-yl)carbamate。 |
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯的英文名称是什么？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯英文名称为N-[2-Cyano-1-(cyclobutylmethyl)-2-hydroxyethyl]-carbamic Acid 1,1-Dimethylethyl Ester。 |
| Q: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯的分子式是什么？ |
| A: 1-氰基-3-环丁基-1-羟基丙烷-2-氨基甲酸叔丁酯分子式为C13H22N2O3。 |
本表列出该化合物相关生产厂商、供应商信息，包含厂家名称、产品供应相关参考信息。
| 上海化源世纪贸易有限公司 |
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- 产品名：N-[2-Cyano-1-(cyclobutylmethyl)-2-hydroxyethyl]-carbamic Acid 1,1-Dimethylethyl Ester
- 纯度：95.0%
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