ChemicalBook > CAS DataBase List > 2-(N-BOC-METHYLAMINO)ACETONITRILE

2-(N-BOC-METHYLAMINO)ACETONITRILE

Product Name
2-(N-BOC-METHYLAMINO)ACETONITRILE
CAS No.
180976-09-4
Chemical Name
2-(N-BOC-METHYLAMINO)ACETONITRILE
Synonyms
JACS-180976-09-4;2-[Boc(methyl)amino]acetonitrile;N-Boc-2-(methylamino)acetonitrile;2-(N-BOC-METHYLAMINO)ACETONITRILE;2-(N-Boc-N-MethylaMino)-acetonitrile;tert-Butyl (cyanomethyl)(methyl)carbamate;CYANOMETHYL-METHYL-CARBAMIC ACID TERT-BUTYL ESTER;N-(cyanomethyl)-N-methylcarbamic acid tert-butyl ester;Carbamic acid, N-(cyanomethyl)-N-methyl-, 1,1-dimethylethyl ester
CBNumber
CB1448793
Molecular Formula
C8H14N2O2
Formula Weight
170.21
MOL File
180976-09-4.mol
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2-(N-BOC-METHYLAMINO)ACETONITRILE Property

Boiling point:
244.5±19.0 °C(Predicted)
Density 
1.033±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
-1.91±0.70(Predicted)
Appearance
Light brown to yellow Liquid
InChI
InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h6H2,1-4H3
InChIKey
AXNPHDXTYKKHSJ-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)N(CC#N)C
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Safety

HS Code 
2926907090
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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.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
B601120
Product name
2-(N-BOC-N-Methylamino)acetonitrile
Packaging
10mg
Price
$45
Updated
2021/12/16
TRC
Product number
B601120
Product name
2-(N-BOC-N-Methylamino)acetonitrile
Packaging
50mg
Price
$60
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB51736
Product name
2-(N-Boc-methylamino)acetonitrile
Packaging
1g
Price
$71.5
Updated
2021/12/16
AK Scientific
Product number
4870AH
Product name
2-(N-Boc-methylamino)acetonitrile
Packaging
5g
Price
$235
Updated
2021/12/16
AK Scientific
Product number
4870AH
Product name
2-(N-Boc-methylamino)acetonitrile
Packaging
25g
Price
$573
Updated
2021/12/16
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2-(N-BOC-METHYLAMINO)ACETONITRILE Chemical Properties,Usage,Production

Synthesis

24424-99-5

25808-30-4

180976-09-4

GENERAL STEPS: To a dichloromethane (DCM, 100 mL) suspension of 2-methylaminoacetonitrile hydrochloride (11.45 g, 107.4 mmol) was added triethylamine (31.5 mL, 226 mmol), followed by the slow addition of di-tert-butyl dicarbonate (22.3 g, 102.2 mmol). The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the mixture was filtered to remove insoluble salts and the filtrate was concentrated under reduced pressure. The crude product was purified by silica gel column chromatography using a 10-20% ethyl acetate/cyclohexane gradient elution. Fractions containing the target product were collected, combined and concentrated under reduced pressure to give tert-butyl (cyanomethyl)(methyl)carbamate (11.94 g, 69% yield) as a colorless liquid.LC-MS (Method 5): retention time 2.82 min, [M + H]+ m/z 171.1.

References

[1] Journal of Medicinal Chemistry, 1996, vol. 39, # 16, p. 3070 - 3088
[2] Patent: WO2008/23157, 2008, A1. Location in patent: Page/Page column 115

2-(N-BOC-METHYLAMINO)ACETONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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2-(N-BOC-METHYLAMINO)ACETONITRILE Suppliers

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180976-09-4, 2-(N-BOC-METHYLAMINO)ACETONITRILERelated Search:

1-Boc-2-cyanopiperidine BOC-TRANS-4-FLUORO-L-PROLINONITRILE tert-butyl 3-cyanomorpholine-4-carboxylate N-TERT-BUTOXYCABONYL-2-(S)-(-)-AZETIDINENITRILE 2-(N-BOC-METHYLAMINO)ACETONITRILE (R)-1-Boc-2-cyanopyrrolidine (R)-4-CYANO-THIAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER 1-Boc-(2S,4S)-2-cyano-4-fluoropyrrolidine TERT-BUTYL BENZYLCYANOMETHYLCARBAMATE tert-butyl (2S)-2-cyano-4,4-difluoropyrrolidine-1-carboxylate tert-butyl (2S,4S)-2-cyano-4-hydroxypyrrolidine-1-carboxylate (R)-1-N-BOC-2-CYANO-PIPERIDINE tert-butyl 3-cyanothiomorpholine-4-carboxylate tert-butyl (2S,4R)-2-cyano-4-hydroxypyrrolidine-1-carboxylate

  • 2-(N-Boc-N-MethylaMino)-acetonitrile
  • tert-Butyl (cyanomethyl)(methyl)carbamate
  • Carbamic acid, N-(cyanomethyl)-N-methyl-, 1,1-dimethylethyl ester
  • 2-(N-BOC-METHYLAMINO)ACETONITRILE
  • JACS-180976-09-4
  • CYANOMETHYL-METHYL-CARBAMIC ACID TERT-BUTYL ESTER
  • N-(cyanomethyl)-N-methylcarbamic acid tert-butyl ester
  • 2-[Boc(methyl)amino]acetonitrile
  • N-Boc-2-(methylamino)acetonitrile
  • 180976-09-4