tert-Butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

HCID 7172298CAS 869901-02-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2nc(C=O)cs2)CC1
InChIKey
XLGKMJFDRZHAEV-UHFFFAOYSA-N
Molecular formula
C14H20N2O3S
Average molar mass
296.39 g/mol
Monoisotopic mass
296.1194635

Names & identifiers

Preferred name
tert-Butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
English name
TERT-BUTYL 4-(4-FORMYL-1,3-THIAZOL-2-YL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
Molecular formula
C14H20N2O3S
Molecular weight
296.39

Names & synonyms

tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylateDTXSID10428291RefChem:1099548DTXCID80379125869901-02-0tert-Butyl 4-(4-formylthiazol-2-yl)piperidine-1-carboxylateTERT-BUTYL 4-(4-FORMYL-1,3-THIAZOL-2-YL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATEMFCD066589814-(4-formyl-2-thiazolyl)-1-piperidinecarboxylic acid, 1,1-dimethylethyl esterSCHEMBL192925tert-Butyl4-(4-formylthiazol-2-yl)piperidine-1-carboxylateXLGKMJFDRZHAEV-UHFFFAOYSA-N
Show more names
4-(4-Formyl-2-thiazolyl)-1-piperidinecarboxylic acid, 1,1-dimethylethyl ester 97%
SB441191-Piperidinecarboxylicacid, 4-(4-formyl-2-thiazolyl)-, 1,1-dimethylethyl esterMS-22262SY237640CS-0319306H511912-(1-Boc-4-piperidinyl)thiazole-4-carbaldehydeTertButyl-1(4-Formylthiazol-2-yl piperidine-1-Carboxylate

Database identifiers

CAS
869901-02-0
PubChem CID
7172298
DTXSID
DTXSID10428291
EC Number
801-253-7

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
87.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

Physicochemical properties

Melting point
91 °C · 91 °C
Boiling point
425 · 425.0±35.0 °C(Predicted)
Density
1.218 · 1.218±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
0.87 · 0.87±0.10(Predicted)
CAS DataBase Reference
869901 · 869901-02-0

Safety & regulation

Safety data

hs_code
2933399990
risk_code
22-37/38-41
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code
26-39

Chemistry & industry

Upstream & downstream products

Suppliers20 total

南京凯美西化工有限公司02558748998 18951874644 · [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]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]

Related reactions

38 records
New reaction record

Linked notes

Loading…