1-ETHYNYLADAMANTANE
- Product Name
- 1-ETHYNYLADAMANTANE
- CAS No.
- 40430-66-8
- Chemical Name
- 1-ETHYNYLADAMANTANE
- Synonyms
- 1-ETHYNYLADAMANTANE;1-Adamantylacetylene - [A8202];rac-(3r,5r,7r)-1-ethynyladamantane;Tricyclo[3.3.1.13,7]decane,1-ethynyl-
- CBNumber
- CB8974011
- Molecular Formula
- C12H16
- Formula Weight
- 160.26
- MOL File
- 40430-66-8.mol
1-ETHYNYLADAMANTANE Property
- Melting point:
- 82℃ (methanol )
- Boiling point:
- 209.3±7.0℃ (760 Torr)
- Density
- 1.01±0.1 g/cm3 (20 ºC 760 Torr)
- Flash point:
- 70.1±12.3℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetone (Slightly), Chloroform (Slightly)
- form
- Solid
- color
- White to Off-White
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- warning
- Hazard statements
-
H302Harmful if swallowed
H313May be harmful in contact with skin
H315Causes skin irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- E932130
- Product name
- 1-Ethynyladamantane
- Packaging
- 500mg
- Price
- $365
- Updated
- 2021/12/16
- Product number
- A8202
- Product name
- 1-Adamantylacetylene
- Purity
- 98.0%
- Packaging
- 1g
- Price
- $330
- Updated
- 2021/12/16
- Product number
- 1400-1-11
- Product name
- 1-Adamantylacetylene
- Packaging
- 1g
- Price
- $375
- Updated
- 2021/12/16
- Product number
- CS-0052563
- Product name
- 1-Ethynyladamantane
- Packaging
- 1g
- Price
- $375
- Updated
- 2021/12/16
- Product number
- AS17454
- Product name
- 1-Adamantylacetylene
- Purity
- 96%
- Packaging
- 1g
- Price
- $383
- Updated
- 2021/12/16
1-ETHYNYLADAMANTANE Chemical Properties,Usage,Production
Synthesis
91800-98-5
40430-66-8
The general procedure for the synthesis of 1-alkynyladamantanes from the compound (CAS: 91800-98-5) is as follows: potassium tert-butoxide (4.2 g, 37.9 mmol) was added to a Schlenk flask in an argon-protected glove box. Using the anhydrous handling technique, freshly distilled tetrahydrofuran (THF, 20 mL) was added to the flask and the mixture was cooled to -10 °C. Subsequently, compound (8) (4.1 g, 12.6 mmol) was added dropwise and the reaction mixture was stirred at room temperature. The reaction was kept under argon atmosphere for 4 days. After completion of the reaction, the reaction was quenched with water and extracted twice with diethyl ether (20 mL). The organic layers were combined, washed sequentially with water and brine, and then dried over anhydrous sodium sulfate. After filtration, the filtrate was concentrated to dryness under vacuum and the residue was purified by silica gel column chromatography using hexane as eluent. The eluate was concentrated to give a white solid product (1.8 g, 91% yield). The structure of the product was confirmed by the following characterization data: 1H NMR (500 MHz, CDCl3) δ 2.08 (1H, s, ≡CH), 1.94 (3H, m, adamantane-H), 1.87 (6H, m, adamantane-H2), 1.67 (6H, m, adamantane-H2); 13C NMR (125.8 MHz, CDCl3) δ 93.1 (≡C-), 66.6 (≡CH), 42.7, 36.3, 29.4, 27.9 (adamantane-C); mass spectrometry (GC-EI, positive ion mode) m/z calculated value of 160.1252 (M+), measured value of 160.0990.
References
[1] Journal of Medicinal Chemistry, 2012, vol. 55, # 16, p. 7290 - 7294,5
[2] Patent: WO2013/82150, 2013, A1. Location in patent: Paragraph 0124
[3] Patent: US2015/322093, 2015, A1. Location in patent: Paragraph 0177
[4] Tetrahedron, 1989, vol. 45, # 10, p. 2925 - 2936
[5] Chemische Berichte, 1962, vol. 95, p. 1039 - 1042
1-ETHYNYLADAMANTANE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-ETHYNYLADAMANTANE manufacturers
- Product
- 1-ETHYNYLADAMANTANE 40430-66-8
- Price
- US $1.00/kg
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 100KG
- Release date
- 2018-12-21