N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
- Product Name
- N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
- CAS No.
- 85363-04-8
- Chemical Name
- N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
- Synonyms
- AKOS 91568;BOC-GLY-NITRILE;BOC-2-AMINOACETONITRILE;N-Boc-aminoacetonitrile;N-BOC-2-Aminoacetonitrile;2-(Boc-aMino)acetonitrile;N-(ert-Butoxycarbonyl)-2-Aminoacetonitrile;N-(TERT-BUTOXYCARBONYL)-2-AMINOACETONITRILE;N-(cyanomethyl)carbamic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-2-aminoacetonitrile 97%
- CBNumber
- CB9773604
- Molecular Formula
- C7H12N2O2
- Formula Weight
- 156.18
- MOL File
- 85363-04-8.mol
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile Property
- Melting point:
- 53-57 °C(lit.)
- Boiling point:
- 186 °C(lit.)
- Density
- 1.1832 (rough estimate)
- refractive index
- 1.4880 (estimate)
- Flash point:
- >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 9.96±0.46(Predicted)
- form
- solid
- color
- Brown
- InChI
- InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)
- InChIKey
- SMZKPZXYDDZDJG-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NCC#N
- CAS DataBase Reference
- 85363-04-8(CAS DataBase Reference)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
N-Bromosuccinimide Price
- Product number
- 443050
- Product name
- N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
- Purity
- 97%
- Packaging
- 5g
- Price
- $63
- Updated
- 2023/06/20
- Product number
- 443050
- Product name
- N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
- Purity
- 97%
- Packaging
- 25g
- Price
- $169
- Updated
- 2023/06/20
- Product number
- B619535
- Product name
- N-Boc-2-aminoacetonitrile
- Packaging
- 1g
- Price
- $55
- Updated
- 2021/12/16
- Product number
- FB37828
- Product name
- N-Boc-aminoacetonitrile
- Packaging
- 2g
- Price
- $60
- Updated
- 2021/12/16
- Product number
- CS-W005639
- Product name
- tert-Butyl(cyanomethyl)carbamate
- Purity
- 99.73%
- Packaging
- 25g
- Price
- $74
- Updated
- 2021/12/16
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile Chemical Properties,Usage,Production
Uses
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile may be used for the preparation of N-(tert-butoxycarbonyl)-2-aminoacetamidoxime, by reaction with hydroxylamine hydrochloride.
General Description
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile is an organic building block.
Synthesis
24424-99-5
151-63-3
85363-04-8
The general procedure for the synthesis of 2-(Boc-amino)acetonitrile from di-tert-butyl dicarbonate and aminoacetonitrile sulfate was as follows: first, 3 mmol of aminoacetonitrile sulfate was dissolved in 50 mL of anhydrous methanol at room temperature and protected by nitrogen. Subsequently, 770 mg (4.5 mmol) of L-cysteine methyl ester hydrochloride and 0.63 mL (4.5 mmol) of triethylamine were added to this solution. The reaction mixture was stirred at room temperature for 3 hours, after which the solvent was removed by rotary evaporation. The residue was dissolved in dichloromethane and washed sequentially with saturated sodium bicarbonate solution and brine. The organic layer was dried with anhydrous sodium sulfate, filtered and concentrated, and finally purified by silica gel column chromatography (eluent: hexane/ethyl acetate, 5:1) to afford a methyl ester derivative of the target product 2-(Boc-amino)acetonitrile. Next, 0.9 mL (0.9 mmol) of a 1N lithium hydroxide solution was added to 1.0 mmol of a 5 mL methanol solution of the above methyl ester derivative at 0 °C. The suspension was stirred at room temperature for 1 h. Upon completion of the reaction, it was diluted with 20 mL of acetone to promote precipitation of the product. The white solid was collected by filtration and dried to give purified 2-(Boc-amino)acetonitrile.
References
[1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 19, p. 6229 - 6232
[2] Chemistry - A European Journal, 2018, vol. 24, # 68, p. 18075 - 18081
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile Preparation Products And Raw materials
Raw materials
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View Lastest Price from N-(tert-Butoxycarbonyl)-2-aminoacetonitrile manufacturers
- Product
- N-(tert-Butoxycarbonyl)-2-aminoacetonitrile 85363-04-8
- Price
- US $7.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2018-12-24
- Product
- N-(tert-Butoxycarbonyl)-2-aminoacetonitrile 85363-04-8
- Price
- US $7.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2018-12-24