tert-Butyl methyl(3-nitrophenyl)carbamate
tert-Butyl methyl(3-nitrophenyl)carbamate structure
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Common Name | tert-Butyl methyl(3-nitrophenyl)carbamate | ||
|---|---|---|---|---|
| CAS Number | 528882-15-7 | Molecular Weight | 252.26600 | |
| Density | 1.208g/cm3 | Boiling Point | 348.63ºC at 760 mmHg | |
| Molecular Formula | C12H16N2O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 164.646ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | tert-butyl N-methyl-N-(3-nitrophenyl)carbamate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.208g/cm3 |
|---|---|
| Boiling Point | 348.63ºC at 760 mmHg |
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.26600 |
| Flash Point | 164.646ºC |
| Exact Mass | 252.11100 |
| PSA | 75.36000 |
| LogP | 3.48930 |
| Index of Refraction | 1.559 |
| InChIKey | VILMFFGDPISPFQ-UHFFFAOYSA-N |
| SMILES | CN(C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2924299090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~97%
tert-Butyl meth... CAS#:528882-15-7 |
| Literature: Pharmacyclics, Inc.; CHEN, Wei; LOURY, David J. Patent: US2013/197014 A1, 2013 ; Location in patent: Paragraph 0715; 0717 ; |
|
~89%
tert-Butyl meth... CAS#:528882-15-7 |
| Literature: JOHNSON and JOHNSON Patent: WO2004/101533 A1, 2004 ; Location in patent: Page 26 ; |
|
~94%
tert-Butyl meth... CAS#:528882-15-7 |
| Literature: F. HOFFMANN-LA ROCHE AG; HOFFMANN-LA ROCHE INC.; CHEN, Zhi; ERICKSON, Shawn David Patent: WO2014/60328 A1, 2014 ; Location in patent: Page/Page column 16 ; |
|
~%
tert-Butyl meth... CAS#:528882-15-7 |
| Literature: McDonald, Iain M.; Austin, Carol; Buck, Ildiko M.; Dunstone, David J.; Griffin, Eric; Harper, Elaine A.; Hull, Robert A. D.; Kalindjian, S. Barret; Linney, Ian D.; Low, Caroline M. R.; Pether, Michael J.; Spencer, John; Wright, Paul T.; Adatia, Trushar; Bashall, Alan Journal of Medicinal Chemistry, 2006 , vol. 49, # 7 p. 2253 - 2261 |
|
~%
tert-Butyl meth... CAS#:528882-15-7 |
| Literature: TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: US2011/237620 A1, 2011 ; US 20110237620 A1 |
|
~%
tert-Butyl meth... CAS#:528882-15-7 |
| Literature: TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: US2011/237620 A1, 2011 ; US 20110237620 A1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
CAS#:528882-16-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2924299090 |
|---|---|
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| tert-butyl methyl(3-nitrophenyl)carbamate |
| N-methyl-(3-nitrophenyl)carbamic acid tert-butyl ester |
| tert-butyl (3-nitrophenyl)methylcarbamate |
| methyl-(3-nitro-phenyl)-carbamic acid tert-butyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: LogP of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate is 3.48930. |
| Q: What is the molecular formula of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: Molecular formula of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate is C12H16N2O4. |
| Q: What is the boiling point of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: Boiling point of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate is 348.63ºC at 760 mmHg. |
| Q: What is the InChIKey of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: InChIKey of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate is VILMFFGDPISPFQ-UHFFFAOYSA-N. |
| Q: What is the molecular weight of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: Molecular weight of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate is 252.26600. |
| Q: What is the CAS number of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: CAS number of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate is 528882-15-7. |
| Q: What is the polar surface area (PSA) of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: Polar surface area (PSA) of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate is 75.36000. |
| Q: What is the English name of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: The English name of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate is tert-butyl N-methyl-N-(3-nitrophenyl)carbamate. |
| Q: What are the downstream products of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: Related downstream products(CAS) of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate: 528882-16-8. |
| Q: What is the SMILES notation of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate? |
| A: SMILES notation of tert-butyl N-methyl-N-(3-nitrophenyl)carbamate is CN(C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |