1-Methyl-cyclobutylamine supplier

Name
1-Methyl-cyclobutylamine
EINECS
CAS No. 40571-47-9
Density 0.878g/cm³
Solubility
Melting Point
Formula C₅H₁₁N
Boiling Point 92.7 °C at 760 mmHg
Molecular Weight 85.149
Flash Point -9℃
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclobutylamine,1-methyl- (6CI);1-Methyl-1-cyclobutylamine;1-Methylcyclobutylamine;
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%

: 1006-68-4
5-phenyloxazole

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

: 1552273-91-2
1-(1-methylcyclobutyl)-5-phenyl-1H-imidazole

Conditions

Conditions	Yield
With trifluoroacetic acid In 1,2-dichloro-benzene at 200℃; for 14h; Microwave irradiation;	36%

: cis {3-(3-chloro-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl}(morpholin-4-yl)methanone

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

: cis (3-{3-[(1-methylcyclobutyl)amino]-1,2,4-oxadiazol-5-yl}-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl)(morpholin-4-yl)methanone

Conditions

Conditions	Yield
In ethanol at 80 - 100℃; for 36h; Microwave irradiation;	24%

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

: 86483-52-5
2,4-dichloro-alpha(elhoxymethlene)-5-fluoro-beta-oxo-benzene propanoic acid ethyl ester

: 118539-53-0
(Z)-2-(2,4-Dichloro-5-fluoro-benzoyl)-3-(1-methyl-cyclobutylamino)-acrylic acid ethyl ester

Conditions

Conditions	Yield
In ethanol Ambient temperature;

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

: 7-Chloro-6-fluoro-1-(1-methyl-cyclobutyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ethanol / Ambient temperature 2: NaH / dioxane / 1.) r.t., 30 min, 2.) reflux, 2.5 h 3: KOH / H2O / 1.5 h / Heating View Scheme

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

: 7-Chloro-6-fluoro-1-(1-methyl-cyclobutyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol / Ambient temperature 2: NaH / dioxane / 1.) r.t., 30 min, 2.) reflux, 2.5 h View Scheme

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

: 118539-35-8
6-Fluoro-1-(1-methyl-cyclobutyl)-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: ethanol / Ambient temperature 2: NaH / dioxane / 1.) r.t., 30 min, 2.) reflux, 2.5 h 3: KOH / H2O / 1.5 h / Heating 4: 30 percent / pyridine / 18 h / Heating View Scheme

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

: 66-25-1
hexanal

: C11H21N

Conditions

Conditions	Yield
In dichloromethane Dehydrating agent; Inert atmosphere;
With magnesium sulfate In dichloromethane for 1h;

: 4-amino-8-bromo-cinnoline-3-carboxylic acid sulfate

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

: 1309764-50-8
C14H15BrN4O

Conditions

Conditions	Yield
Stage #1: 4-amino-8-bromo-cinnoline-3-carboxylic acid sulfate With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 0 - 20℃; for 2.25h; Stage #2: 1-methylcyclobutan-1-amine With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃;

: 4-amino-8-bromo-cinnoline-3-carboxylic acid sulfate

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

: 1309764-24-6
C22H24N4O3

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 1,1'-carbonyldiimidazole / N,N-dimethyl-formamide / 2.25 h / 0 - 20 °C 1.2: 0 - 20 °C 2.1: tetrakis(triphenylphosphine) palladium(0); potassium carbonate / 1,2-dimethoxyethane; ethanol; water / 90 °C View Scheme

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

: 1309764-50-8
C14H15BrN4O

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 20 °C 2.1: hydrogenchloride; acetic acid; sodium nitrite / water / 0 - 5 °C 2.2: -5 - 0 °C 3.1: aluminum (III) chloride / toluene / 70 - 90 °C View Scheme

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

: C14H15BrN4O

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 20 °C 2.1: hydrogenchloride; acetic acid; sodium nitrite / water / 0 - 5 °C 2.2: -5 - 0 °C View Scheme

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

: 1309764-24-6
C22H24N4O3

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: 20 °C 2.1: hydrogenchloride; acetic acid; sodium nitrite / water / 0 - 5 °C 2.2: -5 - 0 °C 3.1: aluminum (III) chloride / toluene / 70 - 90 °C 4.1: tetrakis(triphenylphosphine) palladium(0); potassium carbonate / 1,2-dimethoxyethane; ethanol; water / 90 °C View Scheme

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

: 105-56-6
ethyl 2-cyanoacetate

: C8H12N2O

Conditions

Conditions	Yield
at 20℃;

: 1-(2,4-dimethoxybenzyl)-10-formyl-4-hydroxy-9-methyl-2-oxo-1,2,5,6,7,9-hexahydropyrido[3',2':6,7]cyclohepta[1,2-f]-indole-3-carboxylic acid

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

: C33H37N3O6*C2HF3O2

Conditions

Conditions	Yield
Stage #1: 1-(2,4-dimethoxybenzyl)-10-formyl-4-hydroxy-9-methyl-2-oxo-1,2,5,6,7,9-hexahydropyrido[3',2':6,7]cyclohepta[1,2-f]-indole-3-carboxylic acid; 1-methylcyclobutan-1-amine With acetic acid In 1,2-dichloro-ethane at 20℃; Stage #2: With sodium triacetoxyborohydride at 20℃; Stage #3: With trifluoroacetic acid In methanol	100.9 mg

: 1-(2,4-dimethoxybenzyl)-10-formyl-4-hydroxy-9-methyl-2-oxo-1,2,5,6,7,9-hexahydropyrido[3',2':6,7]cyclohepta[1,2-f]-indole-3-carboxylic acid

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

: 4-hydroxy-9-methyl-10-(((1-methylcyclobutyl)amino)methyl)-2-oxo-1,2,5,6,7,9-hexahydropyrido[3',2':6,7]cyclohepta[1,2-f]indole-3-carboxylic acid hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid / 1,2-dichloro-ethane / 1 h / 20 °C 2: chlorotriisopropylsilane; trifluoroacetic acid / 1 h / 65 °C View Scheme

: 1-(2,4-dimethoxybenzyl)-10-formyl-4-hydroxy-9-methyl-2-oxo-1,2,5,6,7,9-hexahydropyrido[3',2':6,7]cyclohepta[1,2-f]-indole-3-carboxylic acid

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

: C33H37N3O6

Conditions

Conditions	Yield
Stage #1: 1-(2,4-dimethoxybenzyl)-10-formyl-4-hydroxy-9-methyl-2-oxo-1,2,5,6,7,9-hexahydropyrido[3',2':6,7]cyclohepta[1,2-f]-indole-3-carboxylic acid; 1-methylcyclobutan-1-amine With acetic acid In 1,2-dichloro-ethane at 20℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane

: 1-(2,4-dimethoxvbenzvl)-10-formyl-4-hydroxy-9-methyl-2-oxo-2,5,6,9-tetrahydro-1H-pyrido[2',3':4,5]oxepino[3,2-f]indole-3-carboxylic acid

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

: 4-hydroxy-9-methyl-10-(((1-methylcyclobutyl)amino)methyl)-2-oxo-2,5,6,9-tetrahydro-1H-pyrido[2',3':4,5]oxepino[3,2-f]indole-3-carboxylic acid hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid / 1,2-dichloro-ethane / 1 h / 20 °C 2: chlorotriisopropylsilane; trifluoroacetic acid / 1 h / 65 °C View Scheme

: 1-(2,4-dimethoxvbenzvl)-10-formyl-4-hydroxy-9-methyl-2-oxo-2,5,6,9-tetrahydro-1H-pyrido[2',3':4,5]oxepino[3,2-f]indole-3-carboxylic acid

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

: C32H35N3O7

Conditions

Conditions	Yield
Stage #1: 1-(2,4-dimethoxvbenzvl)-10-formyl-4-hydroxy-9-methyl-2-oxo-2,5,6,9-tetrahydro-1H-pyrido[2',3':4,5]oxepino[3,2-f]indole-3-carboxylic acid; 1-methylcyclobutan-1-amine With acetic acid In 1,2-dichloro-ethane at 20℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane

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

: 66-25-1
hexanal

: 1075241-57-4
N-[(5Z)-4-butyl-2-(1-methylcyclobutyl)-isothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: magnesium sulfate / dichloromethane / 1 h 2.1: tetrahydrofuran / 1 h 2.2: 1 h / 20 °C View Scheme

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

: N-((2S,3S)-3-amino-2-hydroxy-3-phenylpropyl)-3,4-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine / dichloromethane / 16 h / 23 °C / Inert atmosphere 2: 1,8-diazabicyclo[5.4.0]undec-7-ene / isopropyl alcohol / 16 h / Inert atmosphere; Heating 3: trimethylphosphane / water; tetrahydrofuran / 3 h / 23 °C / Inert atmosphere View Scheme

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

Product Name

1-Methyl-cyclobutylamine

Synthetic route

1-Methyl-cyclobutylamine Specification

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