Conditions | Yield |
---|---|
at 180 - 185℃; Kochen des Reaktionsprodukts mit konz.HCl; |
Conditions | Yield |
---|---|
With ethanol; ammonia; nickel Hydrogenation.unter Druck; |
6-methylheptan-2-one
A
1,5-dimethylhexylamine
B
bis-(1,5-dimethyl-hexyl)-amine
Conditions | Yield |
---|---|
With hydrazine hydrate anschliessend mit Methanol, wss. Ammoniak und aktiviertem Aluminium; |
1,5-dimethylhexylamine
Conditions | Yield |
---|---|
With nickel Hydrogenation; | |
With ethanol; sodium |
(R)-6-methylheptan-2-amine
1,5-dimethylhexylamine
Conditions | Yield |
---|---|
With 2,2,2-trifluoroethanethiol In tetrahydrofuran; 3-methylpentan-3-ol at 22 - 24℃; for 2h; Photolysis; |
6-Methyl-hept-5-en-2-on
A
1,5-dimethylhexylamine
B
6-methylhept-5-en-2-ol
C
6-methylhept-5-en-2-amine
Conditions | Yield |
---|---|
With ammonia; hydrogen In tert-butyl alcohol at 120℃; for 24h; Autoclave; High pressure; | A 5 %Chromat. B 73 %Chromat. C 15 %Chromat. |
1,5-dimethylhexylamine
bis(1H-benzo[d][1,2,3]triazol-1-yl)methanethione
benzotriazole-1-carbothioic acid (1,5-dimethylhexyl)amide
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 18h; | 99% |
In dichloromethane at 20℃; for 18h; | 87% |
1,5-dimethylhexylamine
N-tert-butoxycarbonyl-L-leucine
L-Leucin-(+)-1,5-dimethylhexylamid
Conditions | Yield |
---|---|
Stage #1: N-tert-butoxycarbonyl-L-leucine With chloroformic acid ethyl ester; triethylamine In tetrahydrofuran at -15℃; for 0.333333h; Stage #2: 1,5-dimethylhexylamine In tetrahydrofuran at -15 - 20℃; for 8h; Stage #3: With trifluoroacetic acid In dichloromethane for 5h; | 98% |
Conditions | Yield |
---|---|
Stage #1: N-tert-butoxycarbonyl-L-phenylalanine With chloroformic acid ethyl ester; triethylamine In tetrahydrofuran at -15℃; for 0.333333h; Stage #2: 1,5-dimethylhexylamine In tetrahydrofuran at -15 - 20℃; for 8h; Stage #3: With trifluoroacetic acid In dichloromethane for 5h; | 97% |
1,5-dimethylhexylamine
pyroglutamic acid sodium salt
C13H25N2O3(1-)*Na(1+)
Conditions | Yield |
---|---|
at 140℃; for 5h; | 94% |
succinic acid anhydride
1,5-dimethylhexylamine
4-[(6-methylheptan-2-yl)amino]-4-oxobutanoic acid
Conditions | Yield |
---|---|
In acetone at 20℃; Inert atmosphere; | 93% |
1,5-dimethylhexylamine
methyl 3,4,6-tri-O-acetyl-2-deoxy-2-(4-nitrophenoxycarbonylamino)-β-D-glucopyranoside
methyl 3,4,6-tri-O-acetyl-2-deoxy-2-<3-(1,5-dimethylhexyl)ureido>-β-D-glucopyranoside
Conditions | Yield |
---|---|
In dichloromethane Ambient temperature; | 92% |
Conditions | Yield |
---|---|
With sodium tris(acetoxy)borohydride In tetrahydrofuran for 12h; Inert atmosphere; | 92% |
Conditions | Yield |
---|---|
In toluene for 0.5h; Heating; | 91% |
Conditions | Yield |
---|---|
With sodium tris(acetoxy)borohydride In tetrahydrofuran for 12h; Inert atmosphere; | 91% |
1,5-dimethylhexylamine
3-Aminophenylboronic acid
3-bromo-4-chloropyrazolo<3,4-d>pyrimidine
Conditions | Yield |
---|---|
Stage #1: 1,5-dimethylhexylamine; 3-bromo-4-chloropyrazolo<3,4-d>pyrimidine With acetic acid In 1,4-dioxane at 150℃; for 0.166667h; microwave irradiation; Stage #2: 3-Aminophenylboronic acid With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane at 180℃; for 0.166667h; Suzuki coupling; microwave irradiation; | 90% |
1,5-dimethylhexylamine
(E)-2-hydroxy-2-methyl-5-phenylpent-4-en-3-one
N-(6-methylheptan-2-yl)-3-phenylpropanamide
Conditions | Yield |
---|---|
With 1,2,4-Triazole; C6H10N3O2S(1+)*Cl(1-); N-ethyl-N,N-diisopropylamine In dichloromethane at 40℃; for 3h; | 90% |
1,5-dimethylhexylamine
N-tert-butoxycarbonyl-D-cyclohexylalanine
Conditions | Yield |
---|---|
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 10 - 20℃; for 4h; | 86% |
1,5-dimethylhexylamine
Conditions | Yield |
---|---|
With sodium tris(acetoxy)borohydride In tetrahydrofuran for 12h; Inert atmosphere; | 85% |
Conditions | Yield |
---|---|
Stage #1: N-tert-butoxycarbonyl-L-phenylalanine With chloroformic acid ethyl ester; triethylamine In tetrahydrofuran at -15℃; for 0.333333h; Stage #2: 1,5-dimethylhexylamine In tetrahydrofuran at -15 - 20℃; for 8h; | 85% |
1,5-dimethylhexylamine
Conditions | Yield |
---|---|
With sodium tris(acetoxy)borohydride In tetrahydrofuran for 12h; Inert atmosphere; | 83% |
Conditions | Yield |
---|---|
In dichloromethane for 24h; | 82% |
Conditions | Yield |
---|---|
Stage #1: C26H24N6O12S2 With thionyl chloride In chloroform; N,N-dimethyl-formamide at 50℃; for 5h; Stage #2: 1,5-dimethylhexylamine With triethylamine In chloroform; N,N-dimethyl-formamide at 20℃; | 82% |
1,5-dimethylhexylamine
2-chloro-5-fluoronicotinic acid
2-[(1,5-dimethylhexyl)amino]-5-fluoronicotinic acid
Conditions | Yield |
---|---|
Stage #1: 1,5-dimethylhexylamine; 2-chloro-5-fluoronicotinic acid With copper; potassium carbonate; copper(I) bromide In N,N-dimethyl-formamide at 120℃; for 2h; Stage #2: With hydrogenchloride; water | 81% |
1,5-dimethylhexylamine
diisopropylamine
6-methyl-N-(1-methylethyl)-2-heptanamine
Conditions | Yield |
---|---|
With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium) In 5,5-dimethyl-1,3-cyclohexadiene at 155℃; for 10h; Inert atmosphere; | 80% |
1,5-dimethylhexylamine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 100 - 120℃; Inert atmosphere; | 80% |
Conditions | Yield |
---|---|
In toluene for 5h; Reflux; | 80% |
Conditions | Yield |
---|---|
In ethanol for 24h; Reflux; | 80% |
Conditions | Yield |
---|---|
Stage #1: C30H26N8O10S2 With thionyl chloride In chloroform; N,N-dimethyl-formamide at 20 - 50℃; for 5h; Stage #2: 1,5-dimethylhexylamine With triethylamine In chloroform; N,N-dimethyl-formamide at 20℃; | A 80% B n/a |
Conditions | Yield |
---|---|
Stage #1: N-tert-butoxycarbonyl-L-leucine With chloroformic acid ethyl ester; triethylamine In tetrahydrofuran at -15℃; for 0.333333h; Stage #2: 1,5-dimethylhexylamine In tetrahydrofuran at -15 - 20℃; for 8h; | 78% |
Conditions | Yield |
---|---|
With hydrogen In neat (no solvent) at 100℃; under 2250.23 Torr; for 20h; | 77% |
1,5-dimethylhexylamine
Conditions | Yield |
---|---|
Stage #1: triethylammonium N-tert-butylsulfamate With trifluoromethylsulfonic anhydride; Triphenylphosphine oxide In dichloromethane at 0℃; for 0.25h; Inert atmosphere; Stage #2: With triethylamine In dichloromethane at -78℃; for 0.25h; Inert atmosphere; Stage #3: 1,5-dimethylhexylamine In dichloromethane at -78 - 22℃; Inert atmosphere; | 77% |
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 20℃; for 6h; Substitution; | 76% |
With dmap; triethylamine In dichloromethane at 5 - 20℃; for 6.21h; |
1,5-dimethylhexylamine
methyl 3-methoxypropionate
(R)-3-methoxy-N-(6-methylheptan-2-yl) propanamide
Conditions | Yield |
---|---|
With Candida antarctica lipase B; Octanethiol; [Ir(2-phenylpyridine)2(4,4′-di-tert-butyl-2,2′-bipyridine)](PF6) In acetonitrile at 38℃; for 48h; Schlenk technique; Molecular sieve; Inert atmosphere; Irradiation; Enzymatic reaction; enantioselective reaction; | 74% |
Conditions | Yield |
---|---|
In acetone; toluene at 20℃; Heating / reflux; | 72% |
Conditions | Yield |
---|---|
With sodium tris(acetoxy)borohydride In tetrahydrofuran for 12h; Inert atmosphere; | 71% |
Stage #1: 1,5-dimethylhexylamine; benzaldehyde In methanol for 3h; Stage #2: With sodium sulfate In methanol for 0.166667h; Stage #3: With methanol; sodium tetrahydroborate for 4h; | 51% |
Reported in EPA TSCA Inventory.
The 1,5-Dimethylhexylamine, with the CAS registry number 543-82-8, is also known as Octodrine. Its EINECS number is 208-851-1. This chemical's molecular formula is C8H19N and molecular weight is 129.24. What's more, its systematic name is 6-Methyl-2-heptanamine. Its classification codes are: (1)Adrenergic [vasoconstrictor]; (2)Anesthetic [local]; (3)Drug / Therapeutic Agent; (4)Inhibitor [HMG-CoA reductase]. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from heat and fire. This chemcial can be prepared by the amination and catalytic hydrogenation of 6-Methyl-2-heptanone. The product can be used as a local anesthetic, vasoconstrictore, but it mainly as an intermediates of octamylamine.
Physical properties of 1,5-Dimethylhexylamine are: (1)ACD/LogP: 2.782; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.32; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 42.564 cm3; (15)Molar Volume: 165.02 cm3; (16)Polarizability: 16.874×10-24cm3; (17)Surface Tension: 26.45 dyne/cm; (18)Density: 0.783 g/cm3; (19)Flash Point: 48.889 °C; (20)Enthalpy of Vaporization: 39.175 kJ/mol; (21)Boiling Point: 154.999 °C at 760 mmHg; (22)Vapour Pressure: 3.09 mmHg at 25°C.
Uses of 1,5-Dimethylhexylamine: it can be used to produce N-[4-(1,5-dimethyl-hexylsulfamoyl)-phenyl]-acetamide at the temperature of 20 °C. It will need reagent Et3N and solvent dimethylformamide with the reaction time of 6 hours. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: NC(C)CCCC(C)C
(2)Std. InChI: InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3
(3)Std. InChIKey: QNIVIMYXGGFTAK-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | subcutaneous | 100mg/kg (100mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 80, Pg. 1153, 1960. | |
rat | LD50 | intramuscular | 146mg/kg (146mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Bolletino della Societe Italiana di Biologia Sperimentale. Vol. 27, Pg. 354, 1951. |
rat | LD50 | oral | 538mg/kg (538mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Bolletino della Societe Italiana di Biologia Sperimentale. Vol. 27, Pg. 354, 1951. |
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