Basic information
- CAS
885270-84-8- Standard SMILES
CC(C)(C)OC(=O)N1CC2(CCNC2)C1- InChIKey
UJIOQJJFPYXAEM-UHFFFAOYSA-N- Molecular formula
- C11H20N2O2
- Average molar mass
- 212.29 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylate
- IUPAC
- tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate
- English name
- Tert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylate
- Molecular formula
- C11H20N2O2
- Molecular weight
- 212.29
Names & synonyms
885270-84-8Tert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylatetert-butyl 2,6-diazaspiro(3.4)octane-2-carboxylateRefChem:892196851-213-82-Boc-2,6-diazaspiro[3.4]octaneMFCD08234737TERT-BUTYL 2,7-DIAZASPIRO[3.4]OCTANE-2-CARBOXYLATE2,6-Diazaspiro[3.4]octane-2-carboxylic acid tert-butyl ester2,6-DIAZA-SPIRO[3.4]OCTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTERTert-butyl2,6-diazaspiro[3.4]octane-2-carboxylate2,6-Diaza-spiro[3.4]octane-2-carboxylic acid tert-butylester
Show more names
2,6-Diazaspiro[3.4]octane, N2-BOC protectedtert-Butyl 2,6-diazaspiro...2-Boc-2,6-diaza-spiro[3.4]octanetert-Butyl-2,6-diazaspiro[3.4]octan-2-carboxylattert-Butyl 2,6-diazaspiro[3.4]octan-2-carboxylate1,1-Dimethylethyl 2,6-diazaspiro[3.4]octane-2-carboxylate2,6-Diazaspiro[3.4]octan-2-carboxylic acid tert-butyl esterTert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylate.hemioxalate
SCHEMBL42968802,6-diaza-spiro[3.4]octane-2-carboxylic acid tert-butylUJIOQJJFPYXAEM-UHFFFAOYSA-NKKB27084MFCD32710316AKOS015838361CS-W020658DS-4539
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 301.3 · 301.3±35.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 10.65 · 10.65±0.20(Predicted)
- form
- solid
- color
- Off-white
- InChI
- InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-11(8-13)4-5-12-6-11/h12H,4-8H2,1-3H3
- InChIKey
- UJIOQJJFPYXAEM-UHFFFAOYSA-N
- SMILES
- C1C2(CCNC2)CN1C(OC(C)(C)C)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usestert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate can be used to synthesize ketohexokinase (KHK) inhibitors that have potential medical uses for treating diabetes and obesity.tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate is also a useful reagent for the synthesis of dihydroisoindolecarboxamide derivatives asNicotinamide Phosphoribosyltransferase (NAMPT) andRho-associated protein kinase (ROCK)inhibitors.
Suppliers100 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南京道尔顿化学技术有限公司18913360273; 15051832550 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
3 records
Compound notes
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