tert-butyl 4-oxocyclohexanecarboxylate
tert-butyl 4-oxocyclohexanecarboxylate structure
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Common Name | tert-butyl 4-oxocyclohexanecarboxylate | ||
|---|---|---|---|---|
| CAS Number | 38446-95-6 | Molecular Weight | 198.259 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 271.5±33.0 °C at 760 mmHg | |
| Molecular Formula | C11H18O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 113.8±25.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | tert-butyl 4-oxocyclohexane-1-carboxylate |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 271.5±33.0 °C at 760 mmHg |
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.259 |
| Flash Point | 113.8±25.4 °C |
| Exact Mass | 198.125595 |
| PSA | 43.37000 |
| LogP | 1.44 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.466 |
| InChIKey | HYNBSBAWGATECV-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)C1CCC(=O)CC1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918300090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~80%
tert-butyl 4-ox... CAS#:38446-95-6 |
| Literature: Kimura; Diwan; Yanagi; Kon-No; Nojima Biological and Pharmaceutical Bulletin, 1995 , vol. 18, # 3 p. 407 - 410 |
|
~%
tert-butyl 4-ox... CAS#:38446-95-6 |
| Literature: Kimura; Diwan; Yanagi; Kon-No; Nojima Biological and Pharmaceutical Bulletin, 1995 , vol. 18, # 3 p. 407 - 410 |
|
~%
tert-butyl 4-ox... CAS#:38446-95-6 |
| Literature: BRISTOL-MYERS SQUIBB COMPANY; UNIVERSITÉ DE MONTRÉAL; BANVILLE, Jacques; RÉMILLARD, Roger; RUEDIGER, Edward H.; DEON, Daniel H.; GAGNON, Marc; DUBÉ, Laurence; GUY, Julia; PRIESTLEY, Eldon Scott; POSY, Shoshana L.; MAXWELL, Brad D.; WONG, Pancras C. Patent: WO2013/163279 A1, 2013 ; |
|
~%
tert-butyl 4-ox... CAS#:38446-95-6 |
| Literature: Kimura; Diwan; Yanagi; Kon-No; Nojima Biological and Pharmaceutical Bulletin, 1995 , vol. 18, # 3 p. 407 - 410 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 1 | |
CAS#:124830-45-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| tert-butyl4-oxocyclohexanecarboxylate |
| 4-Oxo-cyclohexanecarboxylic acid tert-butyl ester |
| Cyclohexanecarboxylic acid,4-oxo-,1,1-dimethylethyl ester |
| 2-Methyl-2-propanyl 4-oxocyclohexanecarboxylate |
| tert-butyl 4-cyclohexanonecarboxylate |
| tert-butyl 4-oxocyclohexanecarboxylate |
| Cyclohexanecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester |
| 4-tert-butoxycarbonylcyclohexanone |
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 4-oxocyclohexane-1-carboxylate? |
| A: LogP of tert-butyl 4-oxocyclohexane-1-carboxylate is 1.44. |
| Q: What are the upstream materials of tert-butyl 4-oxocyclohexane-1-carboxylate? |
| A: Related upstream materials(CAS) of tert-butyl 4-oxocyclohexane-1-carboxylate: 874-61-3;75-65-0;120-47-8;17159-79-4;3618-04-0. |
| Q: What English synonyms does tert-butyl 4-oxocyclohexane-1-carboxylate have? |
| A: English synonyms of tert-butyl 4-oxocyclohexane-1-carboxylate: tert-butyl4-oxocyclohexanecarboxylate, 4-Oxo-cyclohexanecarboxylic acid tert-butyl ester, Cyclohexanecarboxylic acid,4-oxo-,1,1-dimethylethyl ester, 2-Methyl-2-propanyl 4-oxocyclohexanecarboxylate, tert-butyl 4-cyclohexanonecarboxylate, tert-butyl 4-oxocyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester, 4-tert-butoxycarbonylcyclohexanone. |
| Q: What is the molecular weight of tert-butyl 4-oxocyclohexane-1-carboxylate? |
| A: Molecular weight of tert-butyl 4-oxocyclohexane-1-carboxylate is 198.259. |
| Q: What is the English name of tert-butyl 4-oxocyclohexane-1-carboxylate? |
| A: The English name of tert-butyl 4-oxocyclohexane-1-carboxylate is tert-butyl 4-oxocyclohexane-1-carboxylate. |
| Q: What is the CAS number of tert-butyl 4-oxocyclohexane-1-carboxylate? |
| A: CAS number of tert-butyl 4-oxocyclohexane-1-carboxylate is 38446-95-6. |
| Q: What are the downstream products of tert-butyl 4-oxocyclohexane-1-carboxylate? |
| A: Related downstream products(CAS) of tert-butyl 4-oxocyclohexane-1-carboxylate: 124830-45-1. |
| Q: What is the molecular formula of tert-butyl 4-oxocyclohexane-1-carboxylate? |
| A: Molecular formula of tert-butyl 4-oxocyclohexane-1-carboxylate is C11H18O3. |
| Q: What is the polar surface area (PSA) of tert-butyl 4-oxocyclohexane-1-carboxylate? |
| A: Polar surface area (PSA) of tert-butyl 4-oxocyclohexane-1-carboxylate is 43.37000. |
| Q: What is the SMILES notation of tert-butyl 4-oxocyclohexane-1-carboxylate? |
| A: SMILES notation of tert-butyl 4-oxocyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1CCC(=O)CC1. |
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. |