2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester

Product Name: 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester
CAS No.: 240401-27-8
Chemical Name: 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester
Synonyms: benzyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate;7-Boc-2-oxa-7-azaspiro[3....;7-Boc-2-oxa-7-azaspiro[3.5]nonane;7-Boc-2-oxa-7-azaspiro[3.5]nonane,95%;7-Boc-2-oxa-7-azaspiro[3.5]nonane, 95%;2-Oxa-7-azaspiro[3.5]nonane-7-carboxylicacid;tert-butyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate;1,1-dimethylethyl 2-oxa-7-azaspiro[3,5]nonane-7-carboxylate;2-oxa-7-azaspiro[3,5]nonane-7-carboxylic acid tert-butyl ester;2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-diMethylethyl
CBNumber: CB91871851
Molecular Formula: C12H21NO3
Formula Weight: 227.3
MOL File: 240401-27-8.mol

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2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester Property

Melting point:: 31-70°C
Boiling point:: 315.8±42.0 °C(Predicted)
Density: 1.10
storage temp.: -20°C
pka: -0.80±0.20(Predicted)
form: solid
Appearance: White to off-white Solid
InChI: InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3
InChIKey: YVHPBSHIEPPQDC-UHFFFAOYSA-N
SMILES: C1C2(CCN(C(OC(C)(C)C)=O)CC2)CO1

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Safety

WGK Germany: 3
HS Code: 2934999090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 759678
Product name: 7-Boc-2-oxa-7-azaspiro[3.5]nonane
Purity: 97%
Packaging: 100mg
Price: $107
Updated: 2023/06/20

TRC

Product number: B872380
Product name: tert-Butyl2-Oxa-7-azaspiro[3.5]nonane-7-carboxylate
Packaging: 500mg
Price: $240
Updated: 2021/12/16

Synthonix

Product number: O5937
Product name: 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylicacidtert-butylester
Purity: 97.0%
Packaging: 50g
Price: $2770
Updated: 2021/12/16

Matrix Scientific

Product number: 066974
Product name: 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acidtert-butyl ester
Packaging: 5g
Price: $1130
Updated: 2021/12/16

Synthonix

Product number: O5937
Product name: 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylicacidtert-butylester
Purity: 97.0%
Packaging: 25g
Price: $1430
Updated: 2021/12/16

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2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester Chemical Properties,Usage,Production

Uses

It is used as an active pharmaceutical intermediate.

Synthesis

374794-84-0

240401-27-8

The general procedure for the synthesis of tert-butyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate from tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate was as follows: to a solution of tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate (60.0 g, 244.58 mmol) in anhydrous THF (1.2 L) was slowly added n-butyllithium ( nBuLi, 97.8 mL, 0.245 mol, 2.5 M) and the reaction mixture was stirred for 0.5 h at 0 °C. Subsequently, a solution of anhydrous THF (600 mL) of p-toluenesulfonyl chloride (TsCl, 46.6 g, 0.245 mmol) was added drop-wise, and the reaction process was monitored by thin-layer chromatography (TLC) until the feedstock was completely consumed, and stirring was continued for 1.5 hr at 0 °C. Again n-butyllithium (nBuLi, 97.8 mL, 0.245 mmol, 2.5 M) was added to the reaction mixture at 0 °C and stirred for 0.5 hours at 0 °C. Subsequently, the reaction mixture was warmed to 60 °C and stirred for 1 hour. Upon completion of the reaction, the reaction was quenched by addition of saturated ammonium chloride (NH4Cl, 400 mL) solution at 0 °C. After separation of the organic layer, the aqueous layer was extracted with ethyl acetate (EtOAc, 300 mL x 3). The combined organic phases were washed with brine (800 mL × 2), dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to give the crude product (65 g). The crude product was purified by fast column chromatography (eluent: petroleum ether (PE):ethyl acetate (EtOAc) = 30:1 to 10:1) to afford the target compound 2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester (37.0 g, 66% yield) as a white solid. The structure of the product was confirmed by 1H NMR (CDCl3) and mass spectrometry (MS): 1H NMR (CDCl3): δ1.47 (s, 9H), 1.83 (t, 4H, J=5.6Hz), 3.35 (t, 4H, J=5.6Hz), 4.46 (s, 4H); MS: 127.9 [M-Boc+H]+.

References

[1] Tetrahedron Letters, 2011, vol. 52, # 26, p. 3266 - 3270
[2] Patent: CN104557871, 2017, B

2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester Suppliers

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View Lastest Price from 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester manufacturers

Career Henan Chemical Co

Product: 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester 240401-27-8
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100KG
Release date: 2020-01-09

240401-27-8, 2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl esterRelated Search:

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240401-27-8