ChemicalBook--->CAS DataBase List--->512822-27-4

512822-27-4

512822-27-4 Structure

512822-27-4 Structure
IdentificationBack Directory
[Name]

N-Boc-9-azabicyclo[3.3.1]nonan-3-one
[CAS]

512822-27-4
[Synonyms]

N-Boc-9-azabicycL
o[3.3.1]nonan-3-one
9-Boc-3-oxo-9-azabicyclo[...
N-Boc-9-azabicyclo[3.3.1]nonan-3-one
9-Boc-3-oxo-9-azabicyclo[3.3.1]nonane
9-Boc-9-aza-bicyclo[3.3.1]nonan-3-one
tert-butyl 3-oxo-9-azabicyclo[3.3.1]nane-9-carboxylate
tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
3-Oxo-9-aza-bicyclo3.3.1none-9-carboxylic acid tert-butyl ester
3-Oxo-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester
9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
[Molecular Formula]

C13H21NO3
[MDL Number]

MFCD09997838
[MOL File]

512822-27-4.mol
[Molecular Weight]

239.31
Chemical PropertiesBack Directory
[Boiling point ]

342.9±35.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

-1.65±0.20(Predicted)
[color ]

white
[InChI]

InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-10H,4-8H2,1-3H3
[InChIKey]

YEKYAQUJESJBFI-UHFFFAOYSA-N
[SMILES]

C12N(C(OC(C)(C)C)=O)C(CCC1)CC(=O)C2
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H314
[Precautionary statements ]

P280-P301+P310-P305+P351+P338-P310
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

N-Boc-9-azabicyclo[3.3.1]nonan-3-one(512822-27-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

9-Azabicyclo(3.3.1)nonan-3-one Hydrochloride

72761-60-5

N-Boc-9-azabicyclo[3.3.1]nonan-3-one

512822-27-4

General procedure for the synthesis of N-Boc-9-azabicyclo[3.3.1]nonan-3-one hydrochloride from di-tert-butyl dicarbonate and 9-azabicyclo[3.3.1]nonan-3-one hydrochloride: 9-azabicyclo[3.3.1]nonan-3-one hydrochloride (12.0 g, 68.3 mmol) was suspended in tetrahydrofuran (THF, 200 mL) followed by addition of methylamine (27.6 g, 273 mmol). Di-tert-butyl dicarbonate (15.6 g, 71.7 mmol) dissolved in THF (50 mL) was added slowly and dropwise over 15 min at 15 °C. The reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, water was added and extracted with diethyl ether (200 mL). The organic phase was washed with water (2 x 100 mL) and subsequently purified by filtration through a short silica gel column. The final product N-Boc-9-azabicyclo[3.3.1]nonan-3-one was obtained in a yield of 15.24 g (93% yield).

[References]

[1] Patent: WO2009/98209, 2009, A1. Location in patent: Page/Page column 16
512822-27-4 suppliers list
Company Name: Hygeia (Chengdu) pharmaceutical technique Co., Ltd  Gold
Telephone: 028-84502008 13568869383
Website: http://www.hygeiapharm.com
Company Name: Shanghai Finechem Biotechnology Co., Ltd.  Gold
Telephone: 15821337685
Website: www.sh-finechem.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: Shangchem Co., Ltd.  
Telephone: +86-21-68182121
Website: www.chemicalbook.com/ShowSupplierProductsList14031/0_EN.htm
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Longsheng chemical Co.,Ltd.  
Telephone: 58099637 13585536065
Website: www.shlshg.com
Company Name: China Langchem Inc.  
Telephone: 0086-21-58956006
Website: www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm
Company Name: skychemical Co.Ltd  
Telephone: 021-20958197 20965099
Website: www.skychemical.com
Company Name: SynAsst Chemical.  
Telephone: 021-60343070
Website: www.chemicalbook.com/ShowSupplierProductsList15848/0_EN.htm
Company Name: Shanghai Yolne Chemical Co., Ltd.  
Telephone: 021-62960152
Website: http://www.yolne.com
Company Name: Chengdu AstaTech Trading Co., Ltd./AstaTech (Chengdu) Pharma. Co., Ltd.  
Telephone: +86-28-85122536 85324413
Website: www.chemicalbook.com/ShowSupplierProductsList12313/0_EN.htm
Company Name: Shanghai Carlow Chemicals Co., Ltd.  
Telephone: 21-33526724 18930996265
Website: http://www.carlowchem.com
Company Name: Shanghai JONLN Reagent Co., Ltd.  
Telephone: 400-0066400 13621662912
Website: http://www.jonln.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Shanghai AQBioPharma Co., Ltd.  
Telephone: 13661411401
Website: https://www.aqbiopharma.com.cn/
Company Name: Shanghai Yongye Biotechnology Co., Ltd.  
Telephone: 86-021-61559134 15921386130
Website: www.shyongye.com
Tags:512822-27-4 Related Product Information
530-62-1 507-20-0