7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester

Product Name: 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester
CAS No.: 161157-50-2
Chemical Name: 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester
Synonyms: 1-Boc-3,4-epoxypiperidine;N-BOC-3,4-epoxypiperidine;tert-butyl (1RS,6SR)-7-ox...;7-Oxa-3-azabicyclo[4.1.0]heptan;N-Boc-7-oxa-3-azabicyclo[4.1.0]heptane;1-tert-Butoxycarbonyl-3,4-epoxypiperidine;Tert-butyl 7-oxa-3-azabicyclo[4.1.]heptane-3-carboxylate;tert-butyl 7-oxa-4-azabicyclo[4.1.0]heptane-4-carboxylate;tert-Butyl 7-oxa-3-aza-bicyclo[4.1.0]heptane-3-carboxylate;7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dime...
CBNumber: CB42525211
Molecular Formula: C10H17NO3
Formula Weight: 199.25
MOL File: 161157-50-2.mol

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7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester Property

Boiling point:: 272.5±23.0 °C(Predicted)
Density: 1.141±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
pka: -0.83±0.20(Predicted)
color: Colorless to Light orange to Yellow
InChI: InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-4-7-8(6-11)13-7/h7-8H,4-6H2,1-3H3
InChIKey: MMPWHAJQEZIIEH-UHFFFAOYSA-N
SMILES: C12C(O1)CCN(C(OC(C)(C)C)=O)C2

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Safety

HS Code: 2918300090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

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.

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

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TCI Chemical

Product number: B5969
Product name: tert-Butyl 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
Packaging: 1G
Price: $66
Updated: 2025/07/31

TCI Chemical

Product number: B5969
Product name: tert-Butyl 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
Packaging: 5G
Price: $224
Updated: 2025/07/31

TRC

Product number: B694625
Product name: tert-Butyl 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
Packaging: 50mg
Price: $45
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB142581
Product name: tert-Butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
Packaging: 1g
Price: $83
Updated: 2021/12/16

AK Scientific

Product number: Y7707
Product name: tert-Butyl(1RS,6SR)-7-oxa-3-aza-bicyclo[4.1.0]heptane-3-carboxylate
Packaging: 1g
Price: $88
Updated: 2021/12/16

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7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester Chemical Properties,Usage,Production

Synthesis

85838-94-4

161157-50-2

The general procedure for the synthesis of tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate from N-Boc-1,2,3,6-tetrahydropyridine was carried out as follows: tert-butyl 5,6-dihydropyridine-1(2H)-carboxylate (2.00 g, 10.9 mmol) was dissolved in dichloromethane (DCM) as described in the literature WO 97/10212 and added with m-chloroperoxybenzoic acid (MCPBA, 4.16 g, 18.6 mmol). The reaction mixture was stirred at room temperature for 16 hours. After completion of the reaction, the reaction mixture was washed sequentially with saturated aqueous sodium metabisulfite solution, saturated aqueous sodium bicarbonate solution, 1N aqueous sodium hydroxide solution and saturated brine. The organic layer was separated, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate (2.04 g, 94% yield) as an oil. The product was characterized by 1H NMR (400 MHz, CDCl3) with chemical shift δ of 1.45 (s, 9H), 1.91 (m, 1H), 2.04 (br, 1H), 3.11 (m, 1H), 3.21 (br, 1H), 3.29 (m, 1H), 3.45 (br, 1H), 3.70 (br, 1H), 3.88 (br 1H).

References

[1] Tetrahedron Letters, 2004, vol. 45, # 37, p. 6841 - 6845
[2] Organic Process Research and Development, 2014, vol. 18, # 2, p. 321 - 330
[3] Patent: WO2008/11130, 2008, A2. Location in patent: Page/Page column 136-137
[4] Patent: WO2013/138210, 2013, A1. Location in patent: Paragraph 0243
[5] European Journal of Medicinal Chemistry, 2018, vol. 150, p. 39 - 52

7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester Suppliers

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View Lastest Price from 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester manufacturers

Changsha YuTeng New Materials Co., Ltd.

Product: 1-Boc-3,4-epoxypiperidine 161157-50-2
Price: US $0.00-0.00/g
Min. Order: 100g
Purity: 97%
Supply Ability: 500kg/M
Release date: 2024-11-08

Career Henan Chemical Co

Product: tert-Butyl 7-oxa-3-aza-bicyclo[4.1.0]heptane-3-carboxylate 161157-50-2
Price: US $500.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 10tons
Release date: 2018-08-04

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N-Boc-7-oxa-3-azabicyclo[4.1.0]heptane

tert-butyl 7-oxa-4-azabicyclo[4.1.0]heptane-4-carboxylate

7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dime...

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<i>tert</i>-Butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

161157-50-2