1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
- Product Name
- 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
- CAS No.
- 664362-16-7
- Chemical Name
- 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
- Synonyms
- tert-Butyl 3-ethynylpiperidine-1-carboxylate;1-Boc-3-ethynylpiperidine;tert-Butyl 3-ethynyl-piperidin-1-carboxylate;1-Piperidinecarboxylicacid,3-ethynyl-,1,1-dimethy;tert-Butyl 3-ethynylpiperidine-1-carboxylate - [B1855];3-Ethynylpiperidine-1-carboxylic acid tert-butyl ester;3-Ethynyl-1-piperidinecarboxylicacid1,1-dimethylethylester;1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester;3-ethynyl-1-Piperidinecarboxylic acid 1,1-dimethylethyl ester (9CI ACI);1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester (9CI, ACI)
- CBNumber
- CB92473667
- Molecular Formula
- C12H19NO2
- Formula Weight
- 209.28
- MOL File
- 664362-16-7.mol
1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester Property
- Boiling point:
- 269.6±29.0 °C(Predicted)
- Density
- 1.02
- storage temp.
- 2-8°C
- pka
- -2.37±0.40(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
- InChIKey
- IJHRDEPFBAXIMW-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCCC(C#C)C1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H341Suspected of causing genetic defects
- Precautionary statements
-
P201Obtain special instructions before use.
P202Do not handle until all safety precautions have been read and understood.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313IF exposed or concerned: Get medical advice/attention.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B704160
- Product name
- tert-butyl3-ethynylpiperidine-1-carboxylate
- Packaging
- 100mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- B704160
- Product name
- tert-butyl3-ethynylpiperidine-1-carboxylate
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- AS12479
- Product name
- 1-Boc-3-ethynylpiperidine
- Purity
- 97%
- Packaging
- 250mg
- Price
- $171
- Updated
- 2021/12/16
- Product number
- 0209AC
- Product name
- 1-Boc-3-Ethynylpiperidine
- Packaging
- 100mg
- Price
- $118
- Updated
- 2021/12/16
- Product number
- B1855
- Product name
- tert-Butyl3-ethynylpiperidine-1-carboxylate
- Purity
- 97.0%
- Packaging
- 1g
- Price
- $120
- Updated
- 2021/12/16
1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester Chemical Properties,Usage,Production
Synthesis
90965-06-3
118156-93-7
664362-16-7
The general procedure for the synthesis of tert-butyl 3-alkynylpiperidine-1-carboxylate from dimethyl (1-diazido-2-oxopropyl)phosphonate and 1-Boc-3-piperidinecarboxaldehyde was as follows: a solution of dimethyl 1-diazido-2-oxopropylphosphonate (96 mg, 1.0 mmol) in methanol (2 mL) was slowly added dropwise to a stirred tert-butyl 3-formylpiperidine-1-carboxylate (107 mg, 0.50 mmol) and potassium carbonate (138 mg, 2.0 mmol) in a mixture of methanol (4 mL). The reaction was carried out at room temperature with continuous stirring for 3 hours. After completion of the reaction, the mixture was concentrated to dryness to give the crude product. The crude product was dissolved in ether (10 mL) and washed with saturated aqueous sodium bicarbonate (10 mL). The aqueous phase was back-extracted with ether (10 mL x 2), and all the organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated to give the crude product. The crude product was purified by silica gel column chromatography (12 g silica gel), and the eluent was a mixed solution of petroleum ether and ethyl acetate (the volume fraction of ethyl acetate was increased from 0% to 30% in a gradient, and the elution time was 20 min), and the final product was tert-butyl 3-ethynylpiperidine-1-carboxylate (90 mg, 86.1% yield), which was a colorless oil. Mass spectrometry analysis showed that the m/z of its molecular ion peak (M + Na)+ was 232.2.
References
[1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 8, p. 1993 - 1996
[2] Patent: US2004/229864, 2004, A1. Location in patent: Page/Page column 11
[3] Patent: WO2014/139328, 2014, A1. Location in patent: Page/Page column 352
[4] Patent: WO2018/109198, 2018, A1. Location in patent: Page/Page column 35
1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester Preparation Products And Raw materials
Raw materials
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View Lastest Price from 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester manufacturers
- Product
- 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester 664362-16-7
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 500kg
- Release date
- 2019-12-31