ChemicalBook > CAS DataBase List > N-(tert-Butoxycarbonyl)-2-aminoacetonitrile

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

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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)

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Safety

Hazard Codes: Xn
Risk Statements: 20/21/22
Safety Statements: 36
WGK Germany: 3
HS Code: 2926907090

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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.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 443050
Product name: N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
Purity: 97%
Packaging: 5g
Price: $63
Updated: 2023/06/20

Sigma-Aldrich

Product number: 443050
Product name: N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
Purity: 97%
Packaging: 25g
Price: $169
Updated: 2023/06/20

TRC

Product number: B619535
Product name: N-Boc-2-aminoacetonitrile
Packaging: 1g
Price: $55
Updated: 2021/12/16

ChemScene

Product number: CS-W005639
Product name: tert-Butyl(cyanomethyl)carbamate
Purity: 99.73%
Packaging: 10g
Price: $36
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB37828
Product name: N-Boc-aminoacetonitrile
Packaging: 1g
Price: $40
Updated: 2021/12/16

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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

Preparation Products

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View Lastest Price from N-(tert-Butoxycarbonyl)-2-aminoacetonitrile manufacturers

Career Henan Chemical Co

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

Career Henan Chemical Co

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

85363-04-8, N-(tert-Butoxycarbonyl)-2-aminoacetonitrileRelated Search:

Iminodiacetonitrile AMINOACETONITRILE HYDROGEN SULFATE DI-TERT-BUTYL ETHER Benzeneacetonitrile Boc-L-Ala-nitrile BOC-L-LEU-NITRILE (R)-1-Boc-2-cyanopyrrolidine (S)-BOC-2-AMINO-3-PHENYL-PROPIONITRILE Boc-L-Val-nitrile 2-(N-BOC-METHYLAMINO)ACETONITRILE AMINOACETONITRILE 1-Boc-2-cyanopiperidine (1-CYANO-CYCLOPENTYL)-CARBAMIC ACIDTERT-BUTYL ESTER 3-BOC-AMINOBUTYRONITRILE (1-CYANO-CYCLOHEPTYL)-CARBAMIC ACID TERT-BUTYL ESTER (R)-4-CYANO-THIAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER (CYANO-PHENYL-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER (S)-BOC-2-AMINO-3-(3-INDOLYL)-PROPIONITRILE

N-(TERT-BUTOXYCARBONYL)-2-AMINOACETONITRILE

AKOS 91568

Carbamic acid, (cyanomethyl)-, 1,1-dimethylethyl ester (9CI)

BOC-2-AMINOACETONITRILE

BOC-GLY-NITRILE

N-BOC-2-Aminoacetonitrile

Carbamic acid, (cyanomethyl)-, 1,1-dimethylethyl ester

N-(cyanomethyl)carbamic acid tert-butyl ester

2-(Boc-aMino)acetonitrile

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile 97%

2-amino-N-[(2-methylpropan-2-yl)oxy-oxomethyl]acetonitrilium

N-Boc-aminoacetonitrile

Carbamic acid, N-(cyanomethyl)-, 1,1-dimethylethyl ester

N-(ert-Butoxycarbonyl)-2-Aminoacetonitrile

<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-2-aminoacetonitrile

85363-04-8

CH33COCONHCH2CN

C7H12N2O2

C6 to C7

Building Blocks

Cyanides/Nitriles

Nitrogen Compounds

Organic Building Blocks

N-BOC

C6 to C7

Cyanides/Nitriles

Nitrogen Compounds