- Synthesis of 9-boc-1-oxo-4,9-diazaspiro[5,5]undecaneShi, Hai-feng; Huang, Long-jiang, Huaxue Yu Shengwu Gongcheng, 2014, 31(7), 44-46
Cas no 930785-40-3 (Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate)
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is a spirocyclic compound featuring a fused oxa-diaza ring system, which serves as a valuable intermediate in organic synthesis and medicinal chemistry. Its rigid spirocyclic structure enhances stereochemical control, making it useful for constructing complex heterocycles. The tert-butyloxycarbonyl (Boc) protecting group ensures stability under various reaction conditions while allowing selective deprotection when needed. This compound is particularly advantageous in the development of pharmaceuticals, where its scaffold can contribute to improved bioavailability and target selectivity. Its synthetic versatility and stability make it a preferred choice for researchers working on bioactive molecule design.
![Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate structure](https://ossimg.kuujia.com/scimg/931000/930785-40-3x500.png)
930785-40-3 structure
Product Name:Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CAS No:930785-40-3
MF:C13H24N2O3
MW:256.341263771057
MDL:MFCD11227065
CID:822462
PubChem ID:53302318
Update Time:2025-10-17
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 9-Boc-1-oxa-4,9-diazaspiro[5.5]undecane
- tert-Butyl 1-oxa-4,9-diazaspiro-[5.5]undecane-9-carboxylate
- tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
- 1-oxa-4,9-diaza-spiro[5.5]undecane-9-carboxylic acid tert-butyl ester
- WT1154
- 1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
- FRROFBJYHIEDPS-UHFFFAOYSA-N
- PB22496
- FCH1626034
- 1,1-Dimethylethyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (ACI)
- tert-Butyl1-oxa-4,9-diazaspiro[5.5]undecan-9-carboxylate
- Z1302367988
- CS-W005674
- 9-Boc-1-oxa-4 pound not9-diazaspiro[5.5]undecane
- SY096851
- SDCCGSBI-0663179.P001
- AC-31611
- 930785-40-3
- SCHEMBL996189
- EN300-113744
- J-519494
- DTXSID20693372
- ALBB-027710
- MFCD11227065
- AKOS015900842
- DS-12165
- DB-079478
- TERT-BUTYL1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE
- Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
-
- MDL： MFCD11227065
- Inchi： 1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-14-6-9-17-13/h14H,4-10H2,1-3H3
- InChI Key： FRROFBJYHIEDPS-UHFFFAOYSA-N
- SMILES： O=C(N1CCC2(CNCCO2)CC1)OC(C)(C)C
Computed Properties
- Exact Mass: 256.17900
- Monoisotopic Mass: 256.179
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 304
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 50.8
- XLogP3: 0.7
Experimental Properties
- Color/Form: White to Yellow Solid
- Density: 1.11
- Melting Point: No data available
- Boiling Point: 364.2°C at 760 mmHg
- Flash Point: 174.1±27.9 °C
- Refractive Index: 1.514
- PSA: 50.80000
- LogP: 1.64260
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate Security Information
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261;P305+P351+P338
- Safety Instruction： H303+H313+H333
- Storage Condition：Sealed in dry,2-8°C
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ND121-1g |
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
930785-40-3 | 97% | 1g |
1221.0CNY | 2021-08-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ND121-250mg |
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
930785-40-3 | 97% | 250mg |
907CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ND121-50mg |
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
930785-40-3 | 97% | 50mg |
83.0CNY | 2021-08-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ND121-5g |
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
930785-40-3 | 97% | 5g |
7550CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B842381-250mg |
9-Boc-1-oxa-4,9-diazaspiro[5.5]undecane |
930785-40-3 | 97% | 250mg |
801.90 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ND121-200mg |
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
930785-40-3 | 97% | 200mg |
298.0CNY | 2021-08-04 | |
| TRC | B872558-100mg |
tert-Butyl 1-Oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
930785-40-3 | 100mg |
$ 70.00 | 2022-06-06 | ||
| TRC | B872558-500mg |
tert-Butyl 1-Oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
930785-40-3 | 500mg |
$ 230.00 | 2022-06-06 | ||
| TRC | B872558-1g |
tert-Butyl 1-Oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
930785-40-3 | 1g |
$ 365.00 | 2022-06-06 | ||
| Alichem | A289000823-1g |
9-Boc-1-oxa-4,9-diazaspiro[5.5]undecane |
930785-40-3 | 97% | 1g |
$223.21 | 2023-08-31 |
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ; 0 °C; 12 h, 0 °C → reflux
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ; rt; 2 h, reflux
1.2 Reagents: N,N,N′,N′-Tetramethylethylenediamine Solvents: Methanol ; overnight, 78 °C
1.2 Reagents: N,N,N′,N′-Tetramethylethylenediamine Solvents: Methanol ; overnight, 78 °C
Reference
- Spiro[piperidine-azacycle] derivatives as inhibitors of the renal outer medullary potassium channel and their preparation, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ; rt; 2 h, 55 °C
1.2 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ; 2 h, 55 °C; 55 °C → rt
1.3 Reagents: Methanol
1.4 Reagents: N,N′-Dimethylethylenediamine Solvents: Methanol ; 12 h, reflux; reflux → rt
1.2 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ; 2 h, 55 °C; 55 °C → rt
1.3 Reagents: Methanol
1.4 Reagents: N,N′-Dimethylethylenediamine Solvents: Methanol ; 12 h, reflux; reflux → rt
Reference
- Preparation of spirocyclic amide derivatives as muscarinic receptor antagonists and β-adrenoceptor agonists for the treatment of pulmonary disorders, World Intellectual Property Organization, , ,
Production Method 4
Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; 12 h, 50 psi, 50 °C
Reference
- Preparation of cyanophenoxycyclobutylcarbamoylphenylpiperidinylmethylpiperazinyldioxopiperidinylbenzamide derivatives and analogs for the targeted degradation of androgen receptor, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
1.1 Catalysts: (Dimethyl sulfide)trihydroboron Solvents: Dimethyl sulfide , Tetrahydrofuran ; rt; 6 h, 70 °C; 10 h, 25 °C
1.2 Solvents: Methanol ; 30 min, 25 °C
1.3 Reagents: N,N-Dimethylethylenediamine Solvents: Methanol ; 16 h, 70 °C
1.2 Solvents: Methanol ; 30 min, 25 °C
1.3 Reagents: N,N-Dimethylethylenediamine Solvents: Methanol ; 16 h, 70 °C
Reference
- Preparation of spiropiperidine heterocycles and salts thereof as MAGL inhibitors useful in treatment of MAGL-mediated diseases, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
1.1 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Dimethyl sulfoxide , Tetrahydrofuran ; 6 h, 70 °C; 10 h, 25 °C
1.2 Reagents: Methanol ; 30 min, 25 °C
1.3 Reagents: 1,2-Ethanediamine, N1,N2-dimethyl-, hydrochloride (1:2) Solvents: Methanol ; 16 h, 70 °C
1.2 Reagents: Methanol ; 30 min, 25 °C
1.3 Reagents: 1,2-Ethanediamine, N1,N2-dimethyl-, hydrochloride (1:2) Solvents: Methanol ; 16 h, 70 °C
Reference
- 1,1,1-Trifluoro-3-hydroxyprop-2-yl carbamate and 1,1,1-trifluoro-4-hydrobut-2-yl carbamate derivatives as MAGL inhibitors and their preparation, United States, , ,
Production Method 7
Reaction Conditions
1.1 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ; rt; 2 h, 55 °C
1.2 Reagents: N,N′-Dimethylethylenediamine Solvents: Methanol ; overnight, reflux
1.2 Reagents: N,N′-Dimethylethylenediamine Solvents: Methanol ; overnight, reflux
Reference
- Preparation of amide derivatives of 1-oxa-4,9-diazaspiroundecane compounds having multimodal activity against pain, World Intellectual Property Organization, , ,
Production Method 8
Reaction Conditions
1.1 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ; rt; 2 h, 55 °C; 55 °C → rt
1.2 Reagents: N,N′-Dimethylethylenediamine Solvents: Methanol ; rt; overnight, reflux
1.2 Reagents: N,N′-Dimethylethylenediamine Solvents: Methanol ; rt; overnight, reflux
Reference
- Preparation of 1-oxa-4,9-diazaspiroundecane compounds having multimodal activity against pain, World Intellectual Property Organization, , ,
Production Method 9
Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ; 2 h, reflux
1.2 Reagents: N,N,N′,N′-Tetramethylethylenediamine Solvents: Methanol ; overnight, 78 °C
1.2 Reagents: N,N,N′,N′-Tetramethylethylenediamine Solvents: Methanol ; overnight, 78 °C
Reference
- Preparation of novel spirocyclic compounds as inhibitors of the renal outer medullary potassium channel, World Intellectual Property Organization, , ,
Production Method 10
Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ; 2 h, 55 °C
1.2 Reagents: N,N,N′,N′-Tetramethylethylenediamine Solvents: Methanol ; 6 h, reflux
1.2 Reagents: N,N,N′,N′-Tetramethylethylenediamine Solvents: Methanol ; 6 h, reflux
Reference
- The discovery of new spirocyclic muscarinic M3 antagonistsStocks, Michael J.; Alcaraz, Lilian; Bailey, Andrew; Bowers, Keith; Donald, David; et al, Bioorganic & Medicinal Chemistry Letters, 2010, 20(24), 7458-7461
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate Raw materials
- tert-Butyl 3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
- 4-benzyl 9-(tert-butyl) 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate Preparation Products
Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate Related Literature
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
930785-40-3 (Tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate) Related Products
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