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CAS No.: | 2208-07-3 |
---|---|
Name: | Ethyl acetimidate hydrochloride |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C4H10ClNO |
Molecular Weight: | 123.582 |
Synonyms: | Acetimidicacid, ethyl ester, hydrochloride (6CI,7CI,8CI);Ethanimidic acid, ethyl ester,hydrochloride (9CI);Ethyl acetoamidatehydrochloride;Ethyl acetocarboximidate hydrochloride;Ethyl acetoimidatehydrochloride;Ethyl ethanimidate hydrochloride;Ethyl iminoacetatehydrochloride; |
EINECS: | 218-631-7 |
Density: | 0.89g/cm3 |
Melting Point: | 112-114 °C(lit.) |
Boiling Point: | 57.3 °C at 760 mmHg |
Flash Point: | 22.3 °C |
Solubility: | Soluble in water (50mg/L). |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 33.08000 |
LogP: | 1.92180 |
Conditions | Yield |
---|---|
With hydrogenchloride at 0℃; for 0.0833333h; Pinner reaction; Inert atmosphere; | 97% |
With hydrogenchloride; sulfuric acid at -10 - 35℃; for 8h; | 97% |
With acetyl chloride at 0℃; for 12h; Pinner Imino Ether Synthesis; Large scale; | 95% |
ethanol
acetonitrile*2hydrogen chloride
ethyl acetimidate hydrochloride
Conditions | Yield |
---|---|
at -16℃; |
Conditions | Yield |
---|---|
In methanol; tert-butyl methyl ether at 0℃; for 3.5h; | 13 g |
ethyl acetimidate hydrochloride
methyl 2-amino-6-(ethanimidoylamino)-2-methylhex-4-ynoate
Conditions | Yield |
---|---|
Stage #1: methyl 2,6-diamino-2-methylhex-4-ynoate, dihydrochloride With sodium hydroxide In water at 25℃; for 0.166667h; pH=~ 7.95; Stage #2: ethyl acetimidate hydrochloride With sodium hydroxide In water for 3h; pH=8 - 8.5; Stage #3: With hydrogenchloride In water pH=4.1; | 100% |
Stage #1: methyl 2,6-diamino-2-methylhex-4-ynoate, dihydrochloride; ethyl acetimidate hydrochloride With sodium hydroxide In water for 3.16667h; pH=7.95 - 8.5; Stage #2: With hydrogenchloride In water pH=4.1; | 100% |
tert-butyl (3R,4S)-3,4-diaminopyrrolidine-1-carboxylate
ethyl acetimidate hydrochloride
cis-(3,6)-2-methyl-3a,4,6,6a-tetrahydro-1H-pyrrolo[3.4-d]imidazole-5-carboxylic acid tert-butyl ester
Conditions | Yield |
---|---|
In ethanol at 80℃; for 2.5h; | 100% |
1-amino-4-[(tert-butyloxycarbonyl)amino]butane
ethyl acetimidate hydrochloride
trifluoroacetic acid
Conditions | Yield |
---|---|
Stage #1: 1-amino-4-[(tert-butyloxycarbonyl)amino]butane; ethyl acetimidate hydrochloride With triethylamine at 20℃; Inert atmosphere; Cooling with ice; Stage #2: trifluoroacetic acid | 100% |
ethyl acetimidate hydrochloride
Conditions | Yield |
---|---|
With triethylamine at 5℃; for 2.5h; | 99.1% |
(S,S)-1,2-diaminocyclohexane
ethyl acetimidate hydrochloride
Conditions | Yield |
---|---|
In ethanol at 0 - 20℃; for 8h; Inert atmosphere; | 99% |
In ethanol at 0 - 20℃; | |
In ethanol at 20℃; for 9h; |
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Molecular Structure of Ethanimidic acid, ethylester, hydrochloride (1:1) (CAS NO.2208-07-3):
IUPAC Name: ethyl ethanimidate hydrochloride
Empirical Formula: C4H10ClNO
Molecular Weight: 123.5813
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 12.24Å2
Flash Point: 22.3 °C
Enthalpy of Vaporization: 28.76 kJ/mol
Boiling Point: 57.3 °C at 760 mmHg
Vapour Pressure: 232 mmHg at 25°C
Melting point: 112-114 °C(lit.)
Storage temp: 2-8°C
Sensitive: Moisture Sensitive
BRN: 3552401
InChI
InChI=1/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H
Smiles
[NH2+]=C(OCC)C.[ClH-]
EINECS: 218-631-7
Product Categories: Amidates/Imidates; Nitrogen Compounds; Organic Building Blocks
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
F: 3-10-21
Ethanimidic acid, ethylester, hydrochloride (1:1) , with CAS number of 2208-07-3, can be called 1-Ethoxyethaniminium chloride ; Ethyl ethanimidoate hydrochloride (1:1) . It is a white to light yellow crystal powder.