Basic information
- CAS
89151-45-1- Standard SMILES
Cc1ccc(S(=O)(=O)OCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
HHUVXSXDFBEVET-UHFFFAOYSA-N- Molecular formula
- C19H29NO5S
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.1766442
Names & identifiers
- Preferred name
- N-Boc-4-[2-(4-Toluenesulfonyloxy)ethyl]piperidine
- IUPAC
- tert-butyl 4-[2-(4-methylphenyl)sulfonyloxyethyl]piperidine-1-carboxylate
- English name
- 1-BOC-4-[2-(TOLUENE-4-SULFONYLOXY)-ETHYL]-PIPERIDINE
- Molecular formula
- C19H29NO5S
- Molecular weight
- 383.5
Names & synonyms
89151-45-1N-Boc-4-[2-(4-Toluenesulfonyloxy)ethyl]piperidineN-tert-Butoxycarbonyl-4-[2-(4-toluenesulfonyloxy)ethyl]piperidinetert-butyl 4-(2-(tosyloxy)ethyl)piperidine-1-carboxylateMFCD05864741C19H29NO5S1-BOC-4-[2-(TOLUENE-4-SULFONYLOXY)-ETHYL]-PIPERIDINEtert-butyl 4-[2-(4-methylphenyl)sulfonyloxyethyl]piperidine-1-carboxylatetert-butyl 4-(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)-1-piperidinecarboxylatetert-butyl 4-[2-(tosyloxy)ethyl]piperidine-1-carboxylateSCHEMBL282240HHUVXSXDFBEVET-UHFFFAOYSA-N
Show more names
N-tert-Butoxycarbonyl-4-[2-(4-toluenesulfonyloxy)ethyl]N-TERT-BUTOXYCARBONYL-4-[2-(4-TOLUENESULFONYLOXY)ETHYL] PIPERIDINEN-tert-Butoxycarbonyl-4-[2-(4-toluenesulfonyloxy)ethyl]piperidine95%4-[2-(Toluene-4-sulfonyloxy)-ethyl]-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-, 1,1-dimethylethyl ester
DTXSID501008670ZINC02563762AKOS0158370281-Boc-4-[2-(tosyloxy)ethyl]piperidineAS-30574DB-001501CS-0213396F077139
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- Boiling point
- 499.2 · 499.2±18.0 °C(Predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.53 · -1.53±0.40(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Related reactions
17 records
Compound notes
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