(2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE

Product Name: (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE
CAS No.: 97538-67-5
Chemical Name: (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE
Synonyms: (3R)-TRICHLOROMETHYL-CIS-TETRAHYDROPYRROLO[1,2-C]OXAZOL-1-ONE;(3R,7aS)-3-(trichloromethyl)tetrahydro-1H,3H-pyrrolo[1,2-c]oxazol-1-one;DK7774;0]octane-4-one;L-PROLINE - CHLORAL CONDENSATION PRODUCT;5S)-2-TrichloroMethyl-3-oxa-1-azabicyclo[3;(2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE;(2R,5S)-2-trichloromethyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one;(3R-cis)-Tetrahydro-3-trichloromethyl-1H,3H-pyrrolo[1,2-c]ox...;(2R, 5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3,3,0]OCTANE-4-ONE
CBNumber: CB8455608
Molecular Formula: C7H8Cl3NO2
Formula Weight: 244.5
MOL File: 97538-67-5.mol

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(2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE Property

Melting point:: 108-112°C
Boiling point:: 338.6±42.0 °C(Predicted)
Density: 1.59±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Store in freezer, under -20°C
solubility: soluble in Methanol
form: powder to crystal
pka: 2.01±0.40(Predicted)
color: White to Almost white
optical activity: [α]/D 29 to 34°, c = 2 in toluene

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Safety

WGK Germany: 3
HS Code: 29349990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

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

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

TCI Chemical

Product number: T2902
Product name: (2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one
Purity: >98.0%(GC)
Packaging: 1g
Price: $118
Updated: 2025/07/31

TRC

Product number: T895760
Product name: (2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one
Packaging: 500mg
Price: $60
Updated: 2021/12/16

TRC

Product number: T895760
Product name: (2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one
Packaging: 2.5g
Price: $90
Updated: 2021/12/16

Matrix Scientific

Product number: 094815
Product name: (3R,7AS)-3-(Trichloromethyl)tetrahydropyrrolo-[1,2-c]oxazol-1(3H)-one
Purity: 98%
Packaging: 1g
Price: $95
Updated: 2021/12/16

AK Scientific

Product number: B047
Product name: (2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3,3,0]octane-4-one
Packaging: 5g
Price: $100
Updated: 2021/12/16

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(2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE Chemical Properties,Usage,Production

Synthesis

75-87-6

147-85-3

118916-60-2

At room temperature, 22 mL (225 mmol, 2.5 eq.) of trichloroacetaldehyde was added dropwise to a 45 mL suspension of acetonitrile containing 10.470 g (90.94 mmol, 1.0 eq.) of L-proline. The reaction mixture was stirred continuously for 19.5 hours at room temperature. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was dissolved in 100 mL of dichloromethane and filtered to remove insoluble material. The filtrate was concentrated and the dissolution-filtration-concentration process was repeated three times to finally obtain 18.141 g (74.20 mmol, 82% yield) of the target compound 3-(trichloromethyl)tetrahydro-1H,3H-pyrrolo[1,2-C]oxazol-1-one (103) as a white solid. Molecular formula: C7H8Cl3NO2, molecular weight: 244.50 g-mol?1. Specific optical rotation: [α]20D = +34.3° (c = 0.970, benzene). Melting point: 109.6 °C. 1H NMR (400 MHz, CDCl3): δ 1.78-1.64 (m, 1H, H-4'), 1.96-1.85 (m, 1H, H-4), 2.13-2.02 (m, 1H, H-3'), 2.26-2.13 (m, 1H, H-3), 3.15-3.06 (m, 1H, H -5'), 3.39 (ddd, J = 10.9, 7.8, 6.0 Hz, 1H, H-5), 4.09 (dd, J = 8.9, 4.6 Hz, 1H, H-2), 5.14 (s, 1H, H-7).13C NMR (100 MHz, CDCl3): δ 25.32 (t, C-4), 29.91 (t, C-3) 57.87 (t, C-5), 62.38 (t, C-2), 100.62 (s, C-8), 103.60 (d, C-7), 175.43 (s, C-6).IR (FT-ATR, cm?1): 2958 (m), 2920 (w), 2893 (w), 2866 (w), 1784 (s), 1725 (m ), 1449(w), 1373(w), 1359(w), 1322(m), 1283(m), 1270(m), 1243(m), 1174(s), 1107(s), 1083(m), 1043(w), 1001(s), 958(s), 913(w), 898(m), 838(s), 813( s), 790(s), 744(s).

References

[1] Tetrahedron Asymmetry, 2002, vol. 13, # 20, p. 2229 - 2234
[2] Synlett, 2007, # 18, p. 2882 - 2884
[3] Patent: US2015/18269, 2015, A1. Location in patent: Paragraph 0110-0117
[4] Chemistry - A European Journal, 2015, vol. 21, # 23, p. 8464 - 8470
[5] Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 837 - 841

(2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE Preparation Products And Raw materials

Raw materials

Preparation Products

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(2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE Suppliers

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View Lastest Price from (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE manufacturers

Hebei Jimi Trading Co., Ltd.

Product: (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE 97538-67-5
Price: US $1.00/Kg
Min. Order: 1Kg/Bag
Purity: 99.95
Supply Ability: 500kg
Release date: 2019-04-15

97538-67-5, (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONERelated Search:

Chloral H-PRO-OET HCL (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE 2,2,2-TRICHLOROETHYL BUTYRATE 1-(2-CHLOROETHYL)PYRROLIDINE HYDROCHLORIDE

L-PROLINE - CHLORAL CONDENSATION PRODUCT

(3R-CIS)-TETRAHYDRO-3-(TRICHLOROMETHYL)-1H,3H-PYRROLO[1,2-C]OXAZOL-1-ONE

(3R)-TRICHLOROMETHYL-CIS-TETRAHYDROPYRROLO[1,2-C]OXAZOL-1-ONE

(2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE

(2R, 5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3,3,0]OCTANE-4-ONE

0]octane-4-one

5S)-2-TrichloroMethyl-3-oxa-1-azabicyclo[3

3-(trichloromethyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]oxazol-1-one

(2R,5S)-2-trichloromethyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one

(3R,7aS)-3-(trichloroMethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one

(3R,7aS)-3-(trichloromethyl)tetrahydro-1H,3H-pyrrolo[1,2-c]oxazol-1-one

(2R,5S)-2-trichloroMethyl-1-aza-3-oxabicyclo-[3,3,0]-octaM-4-one

1H,3H-Pyrrolo[1,2-c]oxazol-1-one, tetrahydro-3-(trichloroMethyl)-, (3R,7aS)-

(3R,7aS)-3-(trichloromethyl)-hexahydropyrrolo[1,2-c][1,3]oxazol-1-one

(2<i>R</i>,5<i>S</i>)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one

(3R,7aS)-3-Trichloromethyl-tetrahydro-pyrrolo[1,2-c]oxazol-1-one

(3R,7aS)-3-(trichloromethyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one

DK7774

(3R-cis)-Tetrahydro-3-trichloromethyl-1H,3H-pyrrolo[1,2-c]ox...

97538-67-5

C7H8Cl3NO2

Asymmetric Synthesis

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