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Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-YL)thiazole-4-carboxylate

HCID 53418800
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
867065-53-0
Standard SMILES
CCOC(=O)c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIKey
VJUXJZFRSYXDIL-UHFFFAOYSA-N
Molecular formula
C15H23N3O4S
Average molar mass
341.4 g/mol
Monoisotopic mass
341.1409274

Names & identifiers

Preferred name
Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-YL)thiazole-4-carboxylate
IUPAC
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
English name
Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylate
Molecular formula
C15H23N3O4S
Molecular weight
341.43

Names & synonyms

867065-53-0ETHYL 2-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)THIAZOLE-4-CARBOXYLATEMFCD08445626tert-Butyl 4-(4-(ethoxycarbonyl)thiazol-2-yl)piperazine-1-carboxylatetert-butyl 4-[4-(ethoxycarbonyl)-1,3-thiazol-2-yl]piperazine-1-carboxylateEthyl 2-(4-Boc-1-piperazinyl)thiazole-4-carboxylateethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylateEthyl2-(4-(tert-butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylateSCHEMBL1118133DTXSID90697463VJUXJZFRSYXDIL-UHFFFAOYSA-NAKOS015838296
Show more names
4-(4-Ethoxycarbonylthiazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester1-Piperazinecarboxylic acid, 4-[4-(ethoxycarbonyl)-2-thiazolyl]-, 1,1-dimethylethyl ester
DS-0728SY046054CS-0019337F077449ethyl 2-(4-tert-butoxycarbonylpiperazin-1-yl)thiazole-4-carboxylate1,1-dimethylethyl 4-[4-(ethoxycarbonyl)-2-thiazolyl]-1-piperazinecarboxylate4-(4-Ethoxycarbonyl-thiazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
100 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
433

Physicochemical properties

storage temp.
2 · 2-8°C
Appearance
Colorless to light yellow Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Upstream & downstream products

Upstream raw materials

N,N-Diisopropylethylamine1,4-Dioxane1-BOC-PiperazineEthyl 2-bromothiazole-4-carboxylate

Suppliers31 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]

Related reactions

15 records
New reaction record
HRID 169476 reaction equation
HRID 169476As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 699873 reaction equation
HRID 699873As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 871928 reaction equation
HRID 871928As productuspto-grants-2015_03
HRID 871929 reaction equation
HRID 871929As reactantuspto-grants-2015_03
HRID 1408356 reaction equation
HRID 1408356As productuspto-grants-2014_12
HRID 1408357 reaction equation
HRID 1408357As reactantuspto-grants-2014_12
HRID 1516509 reaction equation
HRID 1516509As productuspto-grants-2012_07
HRID 1516510 reaction equation
HRID 1516510As reactantuspto-grants-2012_07
Page 1 of 2

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
867065-53-0
PubChem CID
53418800
DTXSID
DTXSID90697463
北京伊诺凯科技有限公司15652467323 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海相辉医药科技有限公司[email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
艾览(上海)化工科技有限公司400-668-9898 · [email protected]
安徽勇晟医药科技有限公司021-50430803 18016036736;18017383231 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
四川铂友生物科技有限公司(原四川佰朋)028-65791793 18140026355 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
佰美济华(河南)医药科技有限公司0371-88900765 18037465274 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]