(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-PHENYLPROPYL 4-METHYLBENZENESULFONATE
(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-PHENYLPROPYL 4-METHYLBENZENESULFONATE structure
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Common Name | (S)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-PHENYLPROPYL 4-METHYLBENZENESULFONATE | ||
|---|---|---|---|---|
| CAS Number | 141403-49-8 | Molecular Weight | 405.50800 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C21H27NO5S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: (R)-[1-[[[(4-methylbenzyl) sulfonyloxy]methyl]-2-phenylethyl]aminocarbonylmethoxymethyl] 1,1-dimethylethyl ester, also known as (S)-2-t-butoxycarbamylamino-3-phenylpropanol toluenesulfonate, CAS number: 141403-49-8, molecular formula: C21H27NO5S, molecular weight: 405.50800. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate |
|---|---|
| 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.
| Molecular Formula | C21H27NO5S |
|---|---|
| Molecular Weight | 405.50800 |
| Exact Mass | 405.16100 |
| PSA | 90.08000 |
| LogP | 5.30800 |
| InChIKey | RQWPOWPOCHOWOX-SFHVURJKSA-N |
| SMILES | Cc1ccc(S(=O)(=O)OCC(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 |
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.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 8 | |
CAS#:66605-57-0
CAS#:98-59-9
CAS#:24424-99-5
CAS#:3182-95-4
CAS#:51987-73-6
CAS#:7524-50-7
CAS#:104-53-0
CAS#:63-91-2
CAS#:104-15-4
CAS#:29802-26-4![1-[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propan-2-ol,oxalic acid structure](https://image.chemsrc.com/caspic/355/2323-36-6.png)
CAS#:2323-36-6![(-)-2-[methylamino]-1-phenylpropane structure](https://image.chemsrc.com/caspic/038/33817-09-3.png)
CAS#:33817-09-3
CAS#:51871-62-6
CAS#:154669-56-4
CAS#:15099-85-1
CAS#:146552-72-9
CAS#:172695-25-9This 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.
| toluene-4-sulfonic acid (S)-2-tert-butoxycarbonylamino-3-phenylpropyl ester |
| Toluene-4-sulfonic acid (S)-2-t-butoxycarbonylamino-3-phenylpropyl ester |
| Boc-L-phenylalaninol p.toluenesulfonic ester |
| (S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl 4-methylbenzenesulfonate |
| (S) 1-hydroxy-O-(p-toluenesulfonyl)-2-amino-N-(tert-butyloxycarbonyl)-3-phenyl-propane |
| (2S)-2-[N-(tert-butoxycarbonyl)amino]-3-phenyl-O-(4-methylphenylsulfonyl)propan-1-ol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: Polar surface area (PSA) of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate is 90.08000. |
| Q: What is the SMILES notation of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: SMILES notation of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)OCC(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1. |
| Q: What is the English name of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: The English name of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate is [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate. |
| Q: What is the InChIKey of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: InChIKey of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate is RQWPOWPOCHOWOX-SFHVURJKSA-N. |
| Q: What is the molecular formula of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: Molecular formula of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate is C21H27NO5S. |
| Q: What are the upstream materials of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: Related upstream materials(CAS) of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate: 66605-57-0;98-59-9;24424-99-5;3182-95-4;51987-73-6;7524-50-7;104-53-0;63-91-2;104-15-4. |
| Q: What are the downstream products of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: Related downstream products(CAS) of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate: 29802-26-4;2323-36-6;33817-09-3;51871-62-6;154669-56-4;15099-85-1;146552-72-9;172695-25-9. |
| Q: What is the LogP of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: LogP of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate is 5.30800. |
| Q: What is the CAS number of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: CAS number of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate is 141403-49-8. |
| Q: What is the molecular weight of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate? |
| A: Molecular weight of [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate is 405.50800. |
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. |