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

Canada 1 China 45 India 1 United Kingdom 1 United States 6 Global 54

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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