Carbamic acid, [(1S)-1-methyl-2-propynyl]-, 1,1-dimethylethyl ester (9CI)
- Product Name
- Carbamic acid, [(1S)-1-methyl-2-propynyl]-, 1,1-dimethylethyl ester (9CI)
- CAS No.
- 118080-79-8
- Chemical Name
- Carbamic acid, [(1S)-1-methyl-2-propynyl]-, 1,1-dimethylethyl ester (9CI)
- Synonyms
- Methyl 3-(3-hydroxyphenyl;(S)-N-Boc-3-aMino-1-butyne;(S)-N-Boc-3-butyne-2-amine;(S)-2-(Boc-amino)-but-3-yne;(S)-tert-butyl but-3-yn-2-ylcarbamate;tert-butyl (S)-but-3-yn-2-ylcarbamate;TERT-BUTYL N-[(2S)-BUT-3-YN-2-YL]CARBAMATE;tert-butyl N-[(1S)-1-methylprop-2-ynyl]carbamate;tert-Butyl ((1S)-1-methyl-2-propyn-1-yl)carbamate;(S)-(1-Methyl-prop-2-ynyl)-carbamic acid tert-butyl ester
- CBNumber
- CB91066417
- Molecular Formula
- C9H15NO2
- Formula Weight
- 169.22
- MOL File
- 118080-79-8.mol
Carbamic acid, [(1S)-1-methyl-2-propynyl]-, 1,1-dimethylethyl ester (9CI) Property
- storage temp.
- 2-8°C
- Appearance
- White to off-white Solid
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.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: 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
- B601610
- Product name
- (S)-N-Boc-3-amino-1-butyne
- Packaging
- 250mg
- Price
- $1320
- Updated
- 2021/12/16
- Product number
- FB18885
- Product name
- (S)-N-Boc-3-amino-1-butyne
- Packaging
- 250mg
- Price
- $1640
- Updated
- 2021/12/16
- Product number
- AS121604
- Product name
- (S)-(1-Methyl-prop-2-ynyl)-carbamic acid tert-butyl ester
- Purity
- 97+% ee
- Packaging
- 1g
- Price
- $740
- Updated
- 2021/12/16
- Product number
- FB18885
- Product name
- (S)-N-Boc-3-amino-1-butyne
- Packaging
- 100mg
- Price
- $901
- Updated
- 2021/12/16
- Product number
- FB18885
- Product name
- (S)-N-Boc-3-amino-1-butyne
- Packaging
- 10mg
- Price
- $149.9
- Updated
- 2021/12/16
Carbamic acid, [(1S)-1-methyl-2-propynyl]-, 1,1-dimethylethyl ester (9CI) Chemical Properties,Usage,Production
Uses
The S-enantiomer of N-Boc-3-amino-1-butyne (B601600).
Synthesis
79069-50-4
90965-06-3
118080-82-3
General procedure for the synthesis of tert-butyl (R)-but-3-yn-2-ylcarbamate from Boc-L-alaninal and dimethyl (1-diazido-2-oxopropyl)phosphonate: 1. Boc-L-alaninal (500 mg, 2.89 mmol), dimethyl (1-diazido-2-oxopropyl)phosphonate (610 mg, 3.18 mmol, 1.1 eq.) and potassium carbonate (638 mg, 4.62 mmol, 1.6 eq.) were dissolved in methanol (14.4 mL). 2. The reaction mixture was stirred at room temperature for 18 hours. 3. Upon completion of the reaction, the reaction mixture was diluted with ethyl acetate (30 mL) and saturated aqueous sodium chloride solution (40 mL). 4. The organic and aqueous layers were separated and the aqueous layer was further extracted with ethyl acetate (30 mL). 5. Combine all organic extracts, dry with anhydrous sodium sulfate, filter and concentrate. 6. The product was purified by silica gel column chromatography (eluent: 20% ethyl acetate in heptane solution) to give tert-butyl (R)-but-3-yn-2-ylcarbamate (0.258 g, white solid) in 53% yield. 7. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 4.49 (m, 1H), 2.26 (d, J = 2.2 Hz, 1H), 1.46 (s, 9H), 1.41 (d, J = 6.8 Hz, 3H).
References
[1] European Journal of Organic Chemistry, 2015, vol. 2015, # 24, p. 5414 - 5423
[2] MedChemComm, 2016, vol. 7, # 3, p. 531 - 536
[3] Patent: WO2014/141153, 2014, A1. Location in patent: Page/Page column 44
[4] Patent: WO2014/141104, 2014, A1. Location in patent: Page/Page column 109
[5] Angewandte Chemie - International Edition, 2013, vol. 52, # 34, p. 8957 - 8960
Carbamic acid, [(1S)-1-methyl-2-propynyl]-, 1,1-dimethylethyl ester (9CI) Preparation Products And Raw materials
Raw materials
Preparation Products
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