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1-Methyl-cyclobutylamine
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Name

1-Methyl-cyclobutylamine

 EINECS N/A
CAS No. 40571-47-9 Density 0.878g/cm3
PSA 26.02000 LogP 1.58800
Solubility N/A Melting Point N/A
Formula C5H11N Boiling Point 92.7 °C at 760 mmHg
Molecular Weight 85.149 Flash Point -9℃
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 40571-47-9 (1-Methyl-cyclobutylamine) Hazard Symbols N/A
Synonyms

Cyclobutylamine,1-methyl- (6CI);1-Methyl-1-cyclobutylamine;1-Methylcyclobutylamine;

 

1-Methyl-cyclobutylamine Synthetic route

20117-47-9

1-methylcyclobutanol

151-50-8

potassium cyanide

40571-47-9

1-methyl-1-cyclobutylamine

Conditions
ConditionsYield
With dibutyl ether; sulfuric acid und Erhitzen des Reaktionsprodukts mit wss. HCl;
1120-56-5

methylidenecyclobutane

143-33-9

sodium cyanide

40571-47-9

1-methyl-1-cyclobutylamine

Conditions
ConditionsYield
(i) AcOH, aq. H2SO4, (ii) aq. NaOH; Multistep reaction;
1120-56-5

methylidenecyclobutane

75-05-8

acetonitrile

40571-47-9

1-methyl-1-cyclobutylamine

Conditions
ConditionsYield
(i) AcOH, aq. H2SO4, (ii) aq. KOH, ethane-1,2-diol; Multistep reaction;
43088-42-2

2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester

40571-47-9

1-methyl-1-cyclobutylamine

530-62-1

1,1'-carbonyldiimidazole

ethyl 4-methyl-2-{[(1-methylcyclobutyl)carbamoyl]amino}thiophene-3-carboxylate

Conditions
ConditionsYield
Stage #1: 2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester; 1,1'-carbonyldiimidazole With triethylamine In dichloromethane at 20℃; for 48h;
Stage #2: 1-methylcyclobutan-1-amine In dichloromethane at 20℃; for 1h;		97%
98-31-7

3,4-dichlorobenzenesulphonyl chloride

40571-47-9

1-methyl-1-cyclobutylamine

3,4-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 23℃; for 16h; Inert atmosphere;86%
20662-89-9

4-phenyl-1,3-oxazole

40571-47-9

1-methyl-1-cyclobutylamine

1552273-92-3

1-(1-methylcyclobutyl)-4-phenyl-1H-imidazole

Conditions
ConditionsYield
With trifluoroacetic acid In 1,2-dichloro-benzene at 200℃; for 3h; Microwave irradiation;80%
1382848-07-8

3-(3-(cyclopropanecarboxamido)isoquinolin-7-yl)-4-methylbenzoic acid

40571-47-9

1-methyl-1-cyclobutylamine

1382845-06-8

3-(3-(cyclopropanecarboxamido)isoquinolin-7-yl)-4-methyl-N-(1-methylcyclobutyl)benzamide

Conditions
ConditionsYield
With dmap; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 50℃; for 15h;78%
1124330-16-0

tert-butyl 4-((2-chloro-5-nitropyrimidin-4-yl)amino)piperidine-1-carboxylate

40571-47-9

1-methyl-1-cyclobutylamine

tert-butyl 4-((2-((1-methylcyclobutyl)amino)-5-nitropyrimidin-4-yl)amino)piperidine-1-carboxylate

Conditions
ConditionsYield
With sodium carbonate In N,N-dimethyl-formamide at 20℃; for 4h;61%
40571-47-9

1-methyl-1-cyclobutylamine

(1s,4s)-4-((2-chloro-5-nitropyrimidin-4-yl)amino)cyclohexane-1-carboxamide

(1s,4s)-4-((2-((1-methylcyclobutyl)amino)-5-nitropyrimidin-4-yl)amino)cyclohexane-1-carboxamide

Conditions
ConditionsYield
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 60℃; for 4h;51%
40571-47-9

1-methyl-1-cyclobutylamine

(2R)-2-{4-[(2-methylpentyl)oxy]phenyl}-2-[(2S)-2-phenylpropanamido]acetic acid

(2S)-N-((1R)-2-((1-methylcyclobutyl)amino)-1-(4-((2-methylpentyl)oxy)phenyl)-2-oxoethyl)-2-phenylpropanamide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;48%

1-Methyl-cyclobutylamine Specification

The 1-Methyl-cyclobutylamine, with CAS registry number 40571-47-9, has the systematic name of 1-methylcyclobutanamine. Its molecular weight is 85.15. And the chemical formula of this chemical is C5H11N.

Physical properties of 1-Methyl-cyclobutylamine: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.02 Å2; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 26.61 cm3; (13)Molar Volume: 96.9 cm3; (14)Polarizability: 10.55×10-24cm3; (15)Surface Tension: 33.7 dyne/cm; (16)Density: 0.878 g/cm3; (17)Enthalpy of Vaporization: 33.26 kJ/mol; (18)Boiling Point: 92.7 °C at 760 mmHg; (19)Vapour Pressure: 51 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(N)CCC1
(2)InChI: InChI=1/C5H11N/c1-5(6)3-2-4-5/h2-4,6H2,1H3
(3)InChIKey: ZAXBVBGWLMVNJN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H11N/c1-5(6)3-2-4-5/h2-4,6H2,1H3
(5)Std. InChIKey: ZAXBVBGWLMVNJN-UHFFFAOYSA-N

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