1-Boc-4-Methylenepiperidine
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Basic information
- CAS
159635-49-1- Standard SMILES
C=C1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
PDTZMULNKGUIEJ-UHFFFAOYSA-N- Molecular formula
- C11H19NO2
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.14157885
Names & identifiers
- Preferred name
- 1-Boc-4-Methylenepiperidine
- IUPAC
- tert-butyl 4-methylidenepiperidine-1-carboxylate
- English name
- tert-Butyl 4-methylenepiperidine-1-carboxylate
- Molecular formula
- C11H19NO2
- Molecular weight
- 197.27
Names & synonyms
1-boc-4-methylenepiperidineRefChem:430100639-305-4159635-49-1tert-butyl 4-methylenepiperidine-1-carboxylate1-N-Boc-4-methylenepiperidinen-boc-4-methylenepiperidinetert-butyl 4-methylidenepiperidine-1-carboxylate1-N-Boc-4-methylene-piperidineMFCD016325221-tert-Butoxycarbonyl-4-methylenepiperidine1-PIPERIDINECARBOXYLIC ACID, 4-METHYLENE-, 1,1-DIMETHYLETHYL ESTER
Show more names
4-METHYenepiperidineN-Boc-4-MethyL1-Boc-4-Methylenepip1-Boc-4-methylenepiperidin
4-methylenepiperidine-1-carboxylic acid tert-butyl estertert-butyl 4-methylenepiperidinecarboxylate4-methylene-piperidine-1-carboxylic acid tert-butyl esterboc-4-methylenepiperidine1-Boc-4-methylene piperidineSCHEMBL1372971-Boc-4-(methylene)piperidineSCHEMBL8243744
Database identifiers
- CAS
159635-49-1- PubChem CID
- 2756808
- DTXSID
DTXSID90373553- EC Number
- 639-305-4
- Nikkaji
- J746.716H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 80 °C/1mmHg · 80°C/1mmHg(lit.)
- Density
- 1 g/ml · 1g/ml
- refractive index
- 1.463 to · 1.4630 to 1.4670
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- liquid
- pka
- -1.41 · -1.41±0.20(Predicted)
- color
- Clear, colourless
- InChI
- InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3
- InChIKey
- PDTZMULNKGUIEJ-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(=C)CC1
- CAS DataBase Reference
- 159635 · 159635-49-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
Usestert-Butyl 4-Methylenepiperidine-1-carboxylate is a useful reagent for the design of anion exchange membranes (AEMs) and ionomers for use in storage devices such as fuel cells and batteries.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
76 records
Compound notes
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