CAS No.40571-47-9,1-Methyl-cyclobutylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40571-47-9
Name:	1-Methyl-cyclobutylamine

Formula:	C₅H₁₁N
Molecular Weight:	85.149
Synonyms:	Cyclobutylamine,1-methyl- (6CI);1-Methyl-1-cyclobutylamine;1-Methylcyclobutylamine;
Density:	0.878g/cm³
Boiling Point:	92.7 °C at 760 mmHg
Flash Point:	-9℃
PSA:	26.02000
LogP:	1.58800

Synthetic route

: 20117-47-9
1-methylcyclobutanol

: 151-50-8
potassium cyanide

: 40571-47-9
1-methyl-1-cyclobutylamine

Conditions

Conditions	Yield
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

Conditions	Yield
(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

Conditions	Yield
(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

Conditions	Yield
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%

...Expand

: 98-31-7
3,4-dichlorobenzenesulphonyl chloride

: 40571-47-9
1-methyl-1-cyclobutylamine

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

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

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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