ChemicalBook > CAS DataBase List > 3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde

3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde

Product Name
3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde
CAS No.
1214741-19-1
Chemical Name
3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde
Synonyms
Benzeneethanol,9-iodo-;3-(1,1-dimethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrol...;(3R,7aR)-3-(tert-Butyl)-1,5-dioxohexahydropyrrolo[1,2-c]oxazole-7a-carbaldehyde;(3R,7aR)-3-tert-butyl-1,5-dioxodihydro-1H-pyrrolo[1,2-c][1,3]oxazole-7a(5H)-carbaldehyde;(3R,7aR)-3-(tert-butyl)-1,5-dioxodihydro-1H,3H-pyrrolo[1,2-c]oxazole-7a(5H)-carbaldehyde;(3R,7aR)-3-tert-butyl-1,5-dioxo-6,7-dihydro-3H-pyrrolo[1,2-c][1,3]oxazole-7a-carbaldehyde;(3R,7aR)-3-(1,1-Dimethylethyl)dihydro-1,5-dioxo-1H,3H-pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde;3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde;1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde, 3-(1,1-dimethylethyl)dihydro-1,5-dioxo-, (3R,7aR)-;3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde1214741-19-1
CBNumber
CB22676182
Molecular Formula
C11H15NO4
Formula Weight
225.24
MOL File
1214741-19-1.mol
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3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde Property

storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
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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

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

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

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N-Bromosuccinimide Price

Ark Pharm
Product number
P000702169
Product name
(3R,7aR)-3-(tert-Butyl)-1,5-dioxohexahydropyrrolo[1,2-c]oxazole-7a-carbaldehyde
Purity
97%
Packaging
100mg
Price
$33
Updated
2021/12/16
Ark Pharm
Product number
P000702169
Product name
(3R,7aR)-3-(tert-Butyl)-1,5-dioxohexahydropyrrolo[1,2-c]oxazole-7a-carbaldehyde
Purity
97%
Packaging
250mg
Price
$48
Updated
2021/12/16
Ark Pharm
Product number
P000702169
Product name
(3R,7aR)-3-(tert-Butyl)-1,5-dioxohexahydropyrrolo[1,2-c]oxazole-7a-carbaldehyde
Purity
97%
Packaging
1g
Price
$120
Updated
2021/12/16
Crysdot
Product number
CD00012143
Product name
(3R,7aR)-3-(tert-Butyl)-1,5-dioxohexahydropyrrolo[1,2-c]oxazole-7a-carbaldehyde
Purity
97%
Packaging
250mg
Price
$233
Updated
2021/12/16
Chemenu
Product number
CM191000
Product name
(3R,7aR)-3-(tert-butyl)-1,5-dioxodihydro-1H,3H-pyrrolo[1,2-c]oxazole-7a(5H)-carbaldehyde
Purity
97%
Packaging
1g
Price
$552
Updated
2021/12/16
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3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde Chemical Properties,Usage,Production

Synthesis

107-31-3

171284-84-7

1214741-19-1

To a 2 L three-neck flask equipped with a stirrer, thermometer, reflux condenser tube, and nitrogen inlet was added (3R,7aS)-3-(tert-butyl)dihydropyrrolo[1,2-c]oxazole-1,5(3H,6H)-dione (100 g, 0.5 mol), CuCl (10 g), DMI (100 mL), THF (1.2 L), and methyl formate (100 mL ). The reaction mixture was cooled to below -60 °C, followed by the slow addition of LHMDS (700 mL, 1.0 M solution of THF) at a rate that kept the temperature from exceeding -60 °C. After LHMDS was added, TMSCl was added at a rate that kept the temperature from exceeding -60 °C. The reaction mixture was slowly warmed to 0-10 °C over 30 min, followed by concentration under vacuum to 250 mL and EtOAc (300 mL) was added. The crude reaction mixture was transferred to a pre-cooled mixture of citric acid (120 g), water (1 L) and EtOAc (1 L) over 30 min, maintaining the temperature between 0-15 °C. The flask containing the crude product was rinsed with EtOAc (200 mL). After stirring for 10 min, the organic layer was separated and washed sequentially with 12.5% aqueous citric acid (800 mL), 10% aqueous citric acid (700 mL) and 8% aqueous citric acid (600 mL). Trifluoroacetic acid (30 mL) was added to the mixture of organic layer and water (300 mL), keeping the temperature between 5-15°C. After addition, the mixture was heated to 25°C and stirred for 3.5 hours. The organic and aqueous layers were separated by adding 20% aqueous KHCO3 solution (200 mL) within 30 min, keeping the temperature below 20 °C, followed by saturated NaCl solution (500 mL). The aqueous layer was back-extracted with EtOAc (250 mL) and the combined organic layer was washed with saturated NaCl solution (500 mL). Water (35 mL) was added to the combined organic layers and concentrated under vacuum to a final volume of 100 mL. MTBE (400 mL) was added and again concentrated under vacuum to 100 mL. additional MTBE (400 mL) was added and the suspension was stirred for 2 hours at room temperature. The resulting slurry was filtered, rinsed with MTBE (200 mL) and dried under vacuum at 45 °C for 12 h to afford (3R,7aR)-3-(1,1-dimethylethyl)dihydro-1,5-dioxo-1H,3H-pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde (70 g, 61% yield) with a melting point of 196-198 °C.1H NMR ( 400 MHz, CDCl3): δ 9.7 (s, 1H), 5.5 (s, 1H), 2.7 (m, 1H), 2.6 (m, 1H), 2.4 (m, 2H), 0.9 (s, 9H). 13C NMR (400 MHz, CDCl3): 192.0, 181.1, 169.7, 97.6, 73.4, 36.5, 31.7, 30.6, 24.6. ES-MS: [M+H+] calculated for C11H15NO4: 226.10, found: 226.27.

References

[1] Patent: US2014/31549, 2014, A1. Location in patent: Paragraph 0146; 0147
[2] Organic Letters, 2018, vol. 20, # 6, p. 1509 - 1512

3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde Preparation Products And Raw materials

Raw materials

Preparation Products

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3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde Suppliers

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Shanghai Boyle Chemical Co., Ltd.
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View Lastest Price from 3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde manufacturers

Career Henan Chemical Co
Product
3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde 1214741-19-1
Price
US $9.80/KG
Min. Order
1g
Purity
≥99%
Supply Ability
100kg
Release date
2020-01-02

1214741-19-1, 3-(1,1-diMethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehydeRelated Search:


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