1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

HCID 392871CAS 84358-13-4
Substructure searchFind similar structures

Basic information

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 properties

XLogP
1.1
Topological polar surface area
66.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Applications · 1 item

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京一化生物科技有限公司13429882898; 13429882898

Related reactions

487 records
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Linked notes

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