ChemicalBook > CAS DataBase List > 3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester

3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester

Product Name
3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CAS No.
954236-44-3
Chemical Name
3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
Synonyms
EOS-62192;8-Boc-3-oxo-1-oxa-8-azaspiro[4.5]decane;N-Boc-3-oxo-1-oxa-8-aza-spiro[4.5]decane;3-(tert-butoxycarbonyl)-3-aza-7-oxa-spiro[5.4]decan-9-one;tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3 tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;tert-Butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate - [B6632];3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester;1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-oxo-, 1,1-diMethylethyl ester
CBNumber
CB21113239
Molecular Formula
C13H21NO4
Formula Weight
255.31
MOL File
954236-44-3.mol
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3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester Property

Melting point:
65-66 °C(Solv: hexane (110-54-3))
Boiling point:
375.5±42.0 °C(Predicted)
Density 
1.16
storage temp. 
2-8°C
pka
-0.85±0.20(Predicted)
Appearance
Off-white to light yellow Solid
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h4-9H2,1-3H3
InChIKey
XDSCHYPLQWGQRC-UHFFFAOYSA-N
SMILES
O1C2(CCN(C(OC(C)(C)C)=O)CC2)CC(=O)C1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC
Product number
T136130
Product name
tert-Butyl3-Oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Packaging
250mg
Price
$65
Updated
2021/12/16
Ark Pharm
Product number
P000392430
Product name
tert-Butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Purity
97%
Packaging
5g
Price
$478
Updated
2021/12/16
Ark Pharm
Product number
P000392430
Product name
tert-Butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Purity
97%
Packaging
10g
Price
$920
Updated
2021/12/16
Ark Pharm
Product number
P000392430
Product name
tert-Butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Purity
97%
Packaging
100mg
Price
$30
Updated
2021/12/16
Ark Pharm
Product number
P000392430
Product name
tert-Butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Purity
97%
Packaging
250mg
Price
$43
Updated
2021/12/16
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3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester Chemical Properties,Usage,Production

Uses

tert-Butyl 3-Oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is used as a reactant in organic synthesis.

Synthesis

240401-09-6

954236-44-3

General procedure for the synthesis of tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate from tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate: tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (30 g, 120 mmol) was dissolved at 0 °C in DMSO ( 300 mL) and triethylamine (58.5 mL, 420 mmol) was added. Subsequently, pyridine sulfur trioxide (65 g, 410 mmol, CAS No. 26412-87-3) was added in batches. The reaction mixture was stirred at room temperature for 2 h. The progress of the reaction was monitored by TLC (10% isopropanol/heptane) using iodine stain for color development. Upon completion of the reaction, the solution was poured into ice-cold water (1 L) and extracted with ethyl acetate (3 × 300 mL). The combined organic layers were washed sequentially with 0.5 N HCl (3 × 400 mL), sodium sulfite solution (1 × 400 mL), and saturated brine (1 × 400 mL). The organic layer was dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give about 33 g of an orange oil. The oily substance was purified by fast column chromatography (2-20% isopropanol/heptane) to afford tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate as a white solid (28.8 g, 97% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 1.44-1.52 (m, 9H), 1.61-1.73 (m, 2H), 1.75-1.87 (m, 2H), 2.38 (s, 2H), 3.40 (ddd, J = 13.48, 10.24, 3.24 Hz, 2H), 3.67 (dt, J = 13.57, 4.48 Hz, 2H), 4.04 (s, 2H).

References

[1] Patent: WO2010/58318, 2010, A1. Location in patent: Page/Page column 26-27
[2] Patent: WO2018/26371, 2018, A1. Location in patent: Paragraph 0320

3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester Suppliers

PharmaBlock Sciences (Nanjing),Inc.
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View Lastest Price from 3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester manufacturers

Career Henan Chemical Co
Product
3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester 954236-44-3
Price
US $6.68/KG
Min. Order
1KG
Purity
97%-99%
Supply Ability
1kg-1000kg
Release date
2020-01-09

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