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Cas Database

Name	1-Acetylguanidine	EINECS	227-180-5
CAS No.	5699-40-1	Density	1.34g/cm3
PSA	78.97000	LogP	0.20690
Solubility	N/A	Melting Point	181-183 °C
Formula	C₃H₇N₃O	Boiling Point	238.7oC at 760mmHg
Molecular Weight	101.108	Flash Point	98.2oC
Transport Information	N/A	Appearance	White to off-white powder
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Acetamide,N-amidino- (7CI,8CI);1-Acetylguanidine;Acetoguanidine;Acetylguanidine;Guanidine, acetyl-;N-Acetylguanidine;	Article Data	11

1-Acetylguanidine Synthetic route

: guanidine carbonate

: 141-78-6
ethyl acetate

: 5699-40-1
acetylguanidine

Conditions

Conditions	Yield
With sodium In ethanol at 40 - 60℃;	57%

: 64-17-5
ethanol

: 81256-27-1
N,N'-diacetyl-guanidine

: 5699-40-1
acetylguanidine

: 113-00-8
guanidine nitrate

: 141-78-6
ethyl acetate

: 5699-40-1
acetylguanidine

: 1610517-96-8
C19H19N3O5

: 5699-40-1
acetylguanidine

Conditions

Conditions	Yield
With 10 wt% Pd(OH)2 on carbon; hydrogen In tetrahydrofuran; ethanol at 20℃; under 760.051 Torr; for 16h;

: 5699-40-1
acetylguanidine

: 476623-19-5
3-[7-benzyloxy-3-{5-[6-bromo-1-(toluene-4-sulfonyl)-1H-indol-3-yl]-6-methoxy-pyrazin-2-yl}-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indol-4-yl]-1-bromo-butan-2-one

: acetic acid 3-[7-benzyloxy-3-{5-[6-bromo-1-(toluene-4-sulfonyl)-1H-indol-3-yl]-6-methoxy-pyrazin-2-yl}-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indol-4-yl]-2-oxo-butyl ester

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 23℃; for 48h;	95%

: tetrafluoroboric acid diethyl ether complex

: 5699-40-1
acetylguanidine

: acylguanidinium tetrafluoroborate

Conditions

Conditions	Yield
In methanol at 20℃;	94%

: 5699-40-1
acetylguanidine

: 332135-64-5
1-[1-(benzenesulfonyl)-1H-indol-3-yl]-2-bromoethan-1-one

: N-{5-[1-(benzenesulfonyl)-1H-indol-3-yl]-1H-imidazol-2-yl}acetamide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 40℃; for 96h;	92%

: (E)-1,1,1-Trifluoro-4-methoxy-4-(4-methoxy-phenyl)-but-3-en-2-one

: 5699-40-1
acetylguanidine

: 1020541-03-0
4-trifluoromethyl-6-(4-methoxyphenyl)-2-acetylaminopyrimidine

Conditions

Conditions	Yield
In acetonitrile at 80 - 85℃; for 24h;	85%

: 5699-40-1
acetylguanidine

: 4-(p-bromophenyl)-1,1,1-trifluoro-4-methoxy-3-buten-2-one

: 1020541-02-9
4-trifluoromethyl-6-(4-bromophenyl)-2-acetylaminopyrimidine

Conditions

Conditions	Yield
In acetonitrile at 80 - 85℃; for 24h;	85%

: 5699-40-1
acetylguanidine

: 614-47-1
1,3-diphenyl-propen-3-one

: 58413-41-5
N-(4,6-diphenylpyrimidin-2-yl)acetamide

Conditions

Conditions	Yield
Stage #1: 1,3-diphenyl-propen-3-one With sulfur In dimethyl sulfoxide at 20℃; Sealed tube; Stage #2: acetylguanidine In dimethyl sulfoxide at 40℃; for 12h; Sealed tube;	84%

1-Acetylguanidine Specification

The 1-Acetylguanidine with the cas number 5699-40-1 is also called Acetamide,N-(aminoiminomethyl)-. The systematic name is N-(Aminoiminomethyl)acetamide. Its EINECS registry number is 227-180-5. The molecular formula is C₃H₇N₃O. This chemical belongs to the following product categories: (1)Guanidines; (2)Nitrogen Compounds; (3)Organic Building Blocks.

Uses: This chemical can react with 5-(5-bromo-4-oxo-pentyl)-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester to prepare 5-[3-(2-acetylamino-3H-imidazol-4-yl)-propyl]-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester. This reaction needs solvent dimethylformamide at temperature of 20 °C. The reaction time is 4.0 days. The yield is 35%. This reaction is condensation.

You can still convert the following datas into molecular structure:
(1)SMILES: N(C(=N)N)C(=O)C
(2)InChI: InChI=1/C3H7N3O/c1-2(7)6-3(4)5/h1H3,(H4,4,5,6,7)

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