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5699-40-1

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

guanidine carbonate

141-78-6

ethyl acetate

5699-40-1

acetylguanidine

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

tetrafluoroboric acid diethyl ether complex

5699-40-1

acetylguanidine

acylguanidinium tetrafluoroborate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%
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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)