(3R)-3-Aminopiperidine, 3-BOC protected

HCID 1514172CAS 309956-78-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCNC1
InChIKey
WUOQXNWMYLFAHT-MRVPVSSYSA-N
Molecular formula
C10H20N2O2
Average molar mass
200.28 g/mol
Monoisotopic mass
200.15247788

Names & identifiers

Preferred name
(3R)-3-Aminopiperidine, 3-BOC protected
IUPAC
tert-butyl N-[(3R)-piperidin-3-yl]carbamate
English name
(R)-3-(Boc-Amino)piperidine
Molecular formula
C10H20N2O2
Molecular weight
200.28

Names & synonyms

(3R)-3-Aminopiperidine, 3-BOC protectedRefChem:400915685-989-2309956-78-3(R)-3-Boc-aminopiperidine(R)-3-(Boc-Amino)piperidine(r)-tert-butyl piperidin-3-ylcarbamatetert-butyl N-[(3R)-piperidin-3-yl]carbamatetert-butyl (R)-piperidin-3-ylcarbamate(r)-3-(tert-butoxycarbonylamino)piperidineLinagliptin Impurity 87MFCD03093382
Show more names
Linagliptin interMediateR-BOCAlogliptin-1CAS:309956-78-3Linagliptin INT2R-Boc-Amino-Piperidinealogliptin impurities14
(R)-(+)-3-tert-Butoxycarbonylaminopiperidine(r)-piperidin-3-yl-carbamic acid tert-butyl esterCarbamic acid, (3R)-3-piperidinyl-, 1,1-dimethylethyl estertert-butyl(r)-piperidin-3-ylcarbamate(R)-3-tert-butoxycarbonylaminopiperidinetert-butyl (3R)-piperidin-3-ylcarbamate1,1-dimethylethyl (3R)-3-piperidinylcarbamateZ1203162349

Database identifiers

CAS
309956-78-3
PubChem CID
1514172
DTXSID
DTXSID30363796
ChEMBL
CHEMBL4568646
UNII
YXS4RFE6R8
EC Number
685-989-2
Nikkaji
J3.152.624H

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
50.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
121 to · 121.0 to 125.0 °C
Boiling point
304.8 · 304.8±31.0 °C(Predicted)
Density
1.02 · 1.02±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Soluble in methanol and ethanol.
pka
12.37 · 12.37±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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

wgk
2
ridadr
3077
hs_code
29333990
risk_code
37/38-41-50
Signal word
Danger
Symbol(GHS)
GHS05,GHS07,GHS09

Chemistry & industry

Applications

Uses(R)-3-(Boc-amino)piperidine is Boc protected (R)-3-Aminopiperidine (A627920, Dihydrochloride salt) which has been used as a reactant for the preparation of dipeptidyl peptidase IV inhibitors derived from Alogliptin.

Uses(R)-3-(Boc-amino)piperidine is used as an organic chemical synthesis intermediate.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
北京岽兴科技有限公司15801121354; 15801121354 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

381 records
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Linked notes

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