1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
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Basic information
- CAS
84358-13-4- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1- InChIKey
JWOHBPPVVDQMKB-UHFFFAOYSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.13140809
Names & identifiers
- Preferred name
- 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
- IUPAC
- 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
- English name
- N-BOC-piperidine-4-carboxylic acid
- Molecular formula
- C11H19NO4
- Molecular weight
- 229.27
Names & synonyms
84358-13-4N-BOC-piperidine-4-carboxylic acid1-Boc-piperidine-4-carboxylic acid1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid1-[(Tert-Butoxy)Carbonyl]Piperidine-4-Carboxylic AcidAAZ2CAT47BNSC 6939241,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester1-tert-butoxycarbonylisonipecotic acidNSC-693924N-(tert-butoxycarbonyl)isonipecotic acidpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester
Show more names
1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-CARBOXYLIC ACIDBOC-INP-OHBOC-ISONIPECOTIC ACIDBOC-INPBoc-DL-Inp-OHBOC-PIC(4)-OHAURORA KA-3052BUTTPARK 99\04-45RARECHEM AH CK 0061Bilastine Impurity 74
DTXSID702333431-tert-butoxycarbonyl-4-piperidinecarboxylic acidn-tert-butoxycarbonyl-4-piperidinecarboxylic acidpiperidine-1,4-dicarboxylic acid mono-tert-butyl ester1-[(tert-butyl)oxycarbonyl]piperidine-4-carboxylic acid1-(1,1-Dimethylethoxycarbonyl)Piperidine-4-Carboxylic Acidn-(tert-butoxycarbonyl)isonipecotinic acidn-(tert-butyloxycarbonyl)isonipecotic acid
Database identifiers
- CAS
84358-13-4- PubChem CID
- 392871
- DTXSID
DTXSID70233343- ChEMBL
CHEMBL1730672- UNII
- AAZ2CAT47B
- EC Number
- 700-076-1
- Nikkaji
- J887.393C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 148 · 148-153 °C
- Boiling point
- 353.2 · 353.2±35.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 4.56 · 4.56±0.20(Predicted)
- form
- Crystalline Powder
- color
- White
- Water Solubility
- Insoluble in water.
- BRN
- 5533442 · 5533442
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
- InChIKey
- JWOHBPPVVDQMKB-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C(O)=O)CC1
- CAS DataBase Reference
- 84358 · 84358-13-4(CAS DataBase Reference)
- FDA UNII
- 2 CAT47B · AAZ2CAT47B
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-24/25
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
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 13 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 27-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31799
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesIt is a pharmaceutical intermediate. he camptothecin ester of isonipecotic acid is installed on a triazine dendrimer intermediate obtained through an iterative, scalable route to ultimately yield cationic and PEGylated targets with activities in cell culture comparable to free drug.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
487 records
Compound notes
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