Methyl N-cyanoethanimideate supplier

Name
Methyl N-cyanoethanimideate
EINECS
CAS No. 5652-84-6
Article Data4
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point
Formula C₄H₆N₂O
Boiling Point 107.7 °C at 760 mmHg
Molecular Weight 98.1044
Flash Point 18.9 °C
Transport Information
Appearance Colourless transparent liquid
Safety
Risk Codes R34
Molecular Structure
Hazard Symbols C
Synonyms Acetimidicacid, N-cyano-, methyl ester (7CI,8CI);Methyl N-cyanoacetamidate;MethylN-cyanoacetimidate;N-Cyanoethanimidic acid methyl ester;
PSA 45.38000
LogP 0.53228

Synthetic route

: 420-04-2
CYANAMID

: 14777-27-6
methyl acetimidate hydrochloride

: 5652-84-6
methyl N-cyanoacetimidate

Conditions

Conditions	Yield
In methanol

: 67-56-1
methanol

: 15328-19-5
(N-Cyano)diazoethanimin

: 5652-84-6
methyl N-cyanoacetimidate

Conditions

Conditions	Yield
Irradiation;

: 430-67-1
2,2-difluorethylamine

: 5652-84-6
methyl N-cyanoacetimidate

: 1003859-01-5
N'-cyano-N-(2,2-difluoroethyl)ethanimidamide

Conditions

Conditions	Yield
In methanol at 20℃; for 3h;	98%

: 70258-18-3
2-chloro-5-(chloromethyl)pyridine

: 5652-84-6
methyl N-cyanoacetimidate

: 74-89-5
methylamine

: acetamiprid

Conditions

Conditions	Yield
Stage #1: 2-chloro-5-(chloromethyl)pyridine; methylamine In toluene at 3 - 25℃; for 6h; Large scale; Stage #2: methyl N-cyanoacetimidate With ethanol In toluene at 35℃; for 4h; Temperature; Large scale;	93%

...Expand

: 5652-84-6
methyl N-cyanoacetimidate

: 100-63-0
phenylhydrazine

: 68557-26-6
3-methyl-1-phenyl-1H-1,2,4-triazol-5-amine

Conditions

Conditions	Yield
In methanol for 4h; Reflux;	83%

: 5652-84-6
methyl N-cyanoacetimidate

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

: 135410-03-6, 190604-92-3
acetamiprid-N-desmethyl

Conditions

Conditions	Yield
In methanol at 20℃; for 3h;	52%

: 5652-84-6
methyl N-cyanoacetimidate

: 2-pyridinecarboxamide hydrochloride

: 657411-85-3
4-methyl-6-(pyridin-2-yl)-1,3,5-triazin-2-amine

Conditions

Conditions	Yield
Stage #1: picolinamide hydrochloride With sodium methylate In methanol at 20℃; for 0.333333h; Stage #2: methyl N-cyanoacetimidate In methanol at 20℃; for 12h;	50%

: 5652-84-6
methyl N-cyanoacetimidate

: 1003859-15-1
N-[(6-chloropyridin-3-yl)methyl]-3-fluoropropane-1-amine

: 1003858-98-7
N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-(3-fluoropropyl)ethanimidamide

Conditions

Conditions	Yield
In methanol at 20℃; for 96h;	8%

: 151-18-8
2-cyanoethylamine

: 5652-84-6
methyl N-cyanoacetimidate

: 56563-05-4
N'-Cyano-N-(2-cyanoethyl)acetamidin

Conditions

Conditions	Yield
In isopropyl alcohol

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 5652-84-6
methyl N-cyanoacetimidate

: C7H10N4

Conditions

Conditions	Yield
In isopropyl alcohol

: 5652-84-6
methyl N-cyanoacetimidate

: 87718-98-7
N-methyl cyanoacetamide

Conditions

Conditions	Yield
at 160 - 165℃;

: 5652-84-6
methyl N-cyanoacetimidate

: 56563-07-6
N-cyano-acetamidine

Conditions

Conditions	Yield
With ammonia In methanol

: 5652-84-6
methyl N-cyanoacetimidate

: 62-53-3
aniline

: 57292-74-7
N'-Phenyl-N-cyano-acetamidin

Conditions

Conditions	Yield
In ethanol

: 5652-84-6
methyl N-cyanoacetimidate

: 169102-78-7
(3S,4R)-4-Amino-3-hydroxy-2,2-bis-methoxymethyl-chroman-6-carbonitrile

: C17H20N4O4

Conditions

Conditions	Yield
In methanol at 50 - 70℃; for 1h;

: 543682-79-7
5(S)-aminomethyl-3-[4-(1-cyanocyclopropan-1-yl)phenyl]oxazolidin-2-one

: 5652-84-6
methyl N-cyanoacetimidate

: N'-cyano N-[5(S)-3-[4-(1-cyanocyclopropan-1-yl)phenyl]-2-oxooxazolidin-5-ylmethyl]acetamidine

Conditions

Conditions	Yield
In tetrahydrofuran; methanol at 20℃; for 24h;

: N-[5(S)-3-[4-[(1α,5α,6α)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3,5-difluorophenyl]-2-oxooxazolidin-5-ylmethyl]acetamide

: 5652-84-6
methyl N-cyanoacetimidate

A N-[5(S)-3-[4-[(1α,5α,6α)-6-[N-Cyano-1-iminoethyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]-3.5-difluorophenyl]-2-oxooxazolidin-5-ylmethylacetamide: N-[5(S)-3-[4-[(1α,5α,6α)-6-[N-Cyano-1-iminoethyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]-3.5-difluorophenyl]-2-oxooxazolidin-5-ylmethylacetamide

B: 504437-53-0
N-[5(S)-3-[4-[(1α,5α,6α)-6-[(N-cyano-1-iminoethyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]-3,5-difluorophenyl]-2-oxooxazolidin-5-ylmethyl]acetamide

Conditions

Conditions	Yield
In methanol

...Expand

: 1-[5-cyclopropyl-1-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]-[(S)-3-(2-trifluoromethylphenyl)]pyrrolidine hydrochloride

: 5652-84-6
methyl N-cyanoacetimidate

: 1-{1-[1-(1-cyanoiminoethyl)piperidin-4-yl]-5-cyclopropyl-1H-pyrazole-4-carbonyl}-3-[(S)-(2-trifluoromethylphenyl)]pyrrolidine

Conditions

Conditions	Yield
With triethylamine In chloroform at 20 - 45℃; for 2.5h;

: 1-[5-cyclopropyl-1-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]-[(S)-3-(2-trifluoromethylphenyl)]pyrrolidine hydrochloride

: 5652-84-6
methyl N-cyanoacetimidate

: 916829-30-6
1-{1-[1-(1-cyanoiminoethyl)piperidin-4-yl]-5-cyclopropyl-1H-pyrazole-4-carbonyl}-[(S)-3-(2-trifluoromethylphenyl)]pyrrolidine

Conditions

Conditions	Yield
With triethylamine In chloroform at 20 - 45℃; for 4h;

: N-[5(S)-3-[4-[(1α,5α6β)-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)]phenyl]-2-oxooxazolidin-5-ylmethyl]acetamide hydrochloride

: 5652-84-6
methyl N-cyanoacetimidate

: N-[5(S)-3-[4-[(1α,5α6β)-(6-cyano-3-(N-cyano-1-iminoethyl)-3-azabicyclo[3.1.0]hexan-6-yl)]phenyl]-2-oxooxazolidin-5-ylmethyl]acetamide

Conditions

Conditions	Yield
Stage #1: N-[5(S)-3-[4-[(1α,5α6β)-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)]phenyl]-2-oxooxazolidin-5-ylmethyl]acetamide hydrochloride With N-ethyl-N,N-diisopropylamine In methanol at 20℃; for 0.333333h; Stage #2: methyl N-cyanoacetimidate In methanol at 20℃; for 48h;

: 141-86-6
2,6-Diaminopyridine

: 5652-84-6
methyl N-cyanoacetimidate

: 38713-78-9
N-Cyano-N'-(6-amino-2-pyridyl)acetamidine

Conditions

Conditions	Yield
In 1,2-dimethoxyethane at 20℃; for 24h; Inert atmosphere;

: 111-85-3
1-Chlorooctane

: 5652-84-6
methyl N-cyanoacetimidate

: 1000-70-0
bis(trimethylsilyl)carbodi-imide

: 2-amino-4-methyl-6-octyl-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: n-chlorooctane With magnesium In diethyl ether at 35℃; Stage #2: bis(trimethylsilyl)carbodi-imide at 35℃; for 18h; Stage #3: methyl N-cyanoacetimidate Further stages;

...Expand

Methyl N-cyanoethanimideate Specification

The Methyl N-cyanoethanimideate, with the cas registry number 5652-84-6, has the systematic name of 1-methoxyethylidenecyanamide. And the molecular formula of the chemical is C₄H₆N₂O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.38 Å²; (9)Index of Refraction: 1.438; (10)Molar Refractivity: 26.96 cm³; (11)Molar Volume: 102.6 cm³; (12)Polarizability: 10.68×10^-24cm³; (13)Surface Tension: 29.7 dyne/cm; (14)Density: 0.95 g/cm³; (15)Flash Point: 18.9 °C; (16)Enthalpy of Vaporization: 34.65 kJ/mol; (17)Boiling Point: 107.7 °C at 760 mmHg; (18)Vapour Pressure: 26.8 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C\C(=N\C#N)OC
(2)InChI: InChI=1/C4H6N2O/c1-4(7-2)6-3-5/h1-2H3
(3)InChIKey: LILTZUFNZDRURN-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	432mg/kg (432mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	National Technical Information Service. Vol. OTS0570899,

Product Name

Methyl N-cyanoethanimideate

Synthetic route

Methyl N-cyanoethanimideate Specification

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