Conditions | Yield |
---|---|
95% | |
With ammonia; chlorocarbonylhydrido[4,5-bis(dicyclohexylphosphinomethyl)acridine]ruthenium(II) In toluene at 135℃; under 26402.6 Torr; for 12h; Autoclave; Inert atmosphere; | |
With chlorocarbonylhydrido[4,5-bis(dicyclohexylphosphinomethyl)acridine]ruthenium(II); ammonia In toluene at 135℃; under 26402.6 Torr; for 12h; Autoclave; Inert atmosphere; |
Trimethylenediamine
Conditions | Yield |
---|---|
With hydrogen; acetic acid In methanol | 89% |
2,2-dimethyl-1,1-bis(2-cyanoethyl)hydrazine
A
N1-(cyanoethyl)-1,3-propanediamine
B
1,1-dimethyl-2-(3-aminopropyl)hydrazine
C
Trimethylenediamine
D
2,2-dimethyl-1,1-bis(3-aminopropyl)hydrazine
Conditions | Yield |
---|---|
With hydrogen; nickel In ethanol Catalytic hydrogenation; Further byproducts given; | A n/a B n/a C n/a D 66.2% |
A
1,2-di-(3-pyridyl)-ethane
B
3-Methylpyridine
C
chromium(III) hexahydrate cation
D
Trimethylenediamine
Conditions | Yield |
---|---|
In perchloric acid Kinetics; (N2); decompn. of Cr complex in 1 M HClO4 depending on temp. under anaerobic conditions; not isolated, monitored by UV; | A 20% B 65% C n/a D n/a |
In perchloric acid Kinetics; decompn. of Cr complex in 1 M HClO4 depending on temp. under aerobic conditions; not isolated, monitored by UV; | A 38% B 11% C n/a D n/a |
Conditions | Yield |
---|---|
With chloroform; tris-(2-chloro-ethyl)-amine; sulfuric acid at 45℃; |
Conditions | Yield |
---|---|
With sodium-potassium alloy; butan-1-ol | |
With ammonia; hydrogen; nickel at 90℃; under 88260.9 Torr; |
3-azidopropylamine
Trimethylenediamine
Conditions | Yield |
---|---|
With hydrogenchloride im CO2-Strom; | |
With hydrogenchloride; tin(ll) chloride |
Conditions | Yield |
---|---|
With potassium hypobromite at 0 - 60℃; |
butanediol bis-(propionitrile)ether
Trimethylenediamine
Conditions | Yield |
---|---|
With ammonia; water; nickel at 100℃; Hydrogenation.unter Druck; |
pentanedioyl azide
Trimethylenediamine
Conditions | Yield |
---|---|
With hydrogenchloride; ethanol at 100 - 110℃; |
Conditions | Yield |
---|---|
With ethanol; ammonia; water |
Conditions | Yield |
---|---|
With ethanol; ammonia anschl. mit wss. NaOH, dann mit HCl, anschl. mit KOH; | |
With ethanol; ammonia at 100℃; im Autoklaven; |
Conditions | Yield |
---|---|
With sodium hydroxide; water; nitric acid at 150℃; under 51485.6 - 73550.8 Torr; Hydrogenation.an Raney-Nickel, anschl. Erwaermen mit NaOH; |
Conditions | Yield |
---|---|
With ammonia; nickel Hydrogenation.unter Druck; | |
With methanol; ammonia; water; hydrogen; nickel at 125℃; under 41188.4 - 61782.7 Torr; | |
With methanol; ammonia; water; hydrogen; nickel at 125℃; under 41188.4 - 61782.7 Torr; |
Conditions | Yield |
---|---|
With ammonia at 120℃; Rate constant; Mechanism; Thermodynamic data; ΔH(excit.), ΔS(excit.);; | |
With ammonium hydroxide; perchloric acid at 25℃; Rate constant; Thermodynamic data; E(a), ΔS(excit.); |
3-chloropropan-1-amine
Trimethylenediamine
Conditions | Yield |
---|---|
With ammonium hydroxide at 50℃; Rate constant; Thermodynamic data; E(a); |
Conditions | Yield |
---|---|
With pyrroloquinoline quinone In water at 37℃; examination of PQQ oxidation effect; phosphate buffer (pH=7.2); |
Conditions | Yield |
---|---|
With sodium hypochlorite; dimethylborane; ammonia 1.) 0 deg C, 1 h, 2.) O deg C; Yield given. Multistep reaction; |
(3-aminopropyl)carbamic acid benzyl ester hydrochloride
Trimethylenediamine
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol for 4h; Yield given; |
N-[1-(4-Hexadecyloxy-phenyl)-meth-(E)-ylidene]-N'-[1-(4-hexadecyloxy-phenyl)-meth-(Z)-ylidene]-propane-1,3-diamine
A
p-n-hexadecyloxybenzaldehyde
B
Trimethylenediamine
Conditions | Yield |
---|---|
With hydrogenchloride; water; cetyltrimethylammonim bromide In chloroform at 25℃; Rate constant; |
N-(3-aminopropyl)-1,4-diaminobutane
A
propionaldehyde
B
Trimethylenediamine
C
1,4-diaminobutane
Conditions | Yield |
---|---|
With NaPi buffer; oxygen at 37℃; for 0.166667h; catalase and polyamine oxidase presence, pH 6.5, other polyamines and acetylpolyamines, kinetic constants Km (μM) and Vmax (μmol H2O2 formed μg protein-1 min-1); |
Spermine
A
N-(3-aminopropyl)-1,4-diaminobutane
B
propionaldehyde
C
Trimethylenediamine
Conditions | Yield |
---|---|
With NaPi buffer; oxygen at 37℃; for 0.166667h; catalase and polyamine oxidase presence, pH 6.5, other polyamines and acetylpolyamines, kinetic constants Km (μM) and Vmax (μmol H2O2 formed μg protein-1 min-1); |
Conditions | Yield |
---|---|
With NaPi buffer; oxygen at 37℃; for 0.166667h; catalase and polyamine oxidase presence, pH 6.5, other polyamines and acetylpolyamines, kinetic constants Km (μM) and Vmax (μmol H2O2 formed μg protein-1 min-1); |
N1-Acetyl-Spermidine
Trimethylenediamine
Conditions | Yield |
---|---|
With NaPi buffer; oxygen at 37℃; for 0.166667h; catalase and polyamine oxidase presence, pH 6.5, other polyamines and acetylpolyamines, kinetic constants Km (μM) and Vmax (μmol H2O2 formed μg protein-1 min-1); |
Conditions | Yield |
---|---|
With KPi buffer; oxygen at 37℃; for 0.166667h; catalase and polyamine oxidase presence, both bound or not bound to hydroxyapatite, other reagent: NaPi buffer, pH 6 or 6.5, other polyamines and acetylpolyamines, kinetic constants Km (μM) and Vmax (μmol H2O2 formed μg protein-1 min-1); |
Conditions | Yield |
---|---|
With ammonia; hydrogen; Co-Fe catalyst at 195℃; under 37503 - 112509 Torr; Product distribution; | |
With ammonia; hydrogen; cobalt; iron at 195℃; under 101258 Torr; amination; | |
With ammonia; hydrogen; Co-La at 190℃; under 101258 Torr; amination; |
trimethyleneglycol
A
bis(3-aminopropyl)amine
B
propan-1-ol
C
Trimethylenediamine
D
propan-1-ol-3-amine
Conditions | Yield |
---|---|
With ammonia; hydrogen; carbon monoxide at 210℃; under 101258 Torr; Product distribution; Further Variations:; Catalysts; Temperatures; Pressures; amination; |
A
3-(2,5-dihydro-pyrrol-1-yl)-propylamine
B
Trimethylenediamine
Conditions | Yield |
---|---|
With sodium hydroxide; air; copper |
Trimethylenediamine
p-toluenesulfonyl chloride
N,N'-ditoluenesulfonyl-1,3-diaminopropane
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran; water at 0.2℃; for 3h; Inert atmosphere; | 100% |
at 80℃; for 0.5h; | 95% |
With potassium carbonate In tetrahydrofuran; water at 23℃; for 10h; | 95% |
5-(dimethylamino)naphth-1-ylsulfonyl chloride
Trimethylenediamine
N-(3-aminopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide
Conditions | Yield |
---|---|
In dichloromethane at 0℃; for 4h; | 100% |
In dichloromethane at 20℃; for 18h; Inert atmosphere; | 99% |
In dichloromethane at 0 - 20℃; for 1h; | 88% |
Trimethylenediamine
acrylonitrile
N1,N3-bis(2-cyanoethyl)propane-1,3-diamine
Conditions | Yield |
---|---|
In methanol at 20℃; for 16h; Addition; cyanoethylation; | 100% |
at 0℃; for 24h; Darkness; | 95% |
In ethanol at 20℃; for 16h; Addition; cyanoethylation; | 88% |
Trimethylenediamine
1-phenylbutan-1,3-dione
(Z)-3-{3-[(Z)-1-methyl-3-oxo-3-phenyl-1-propenylamino]propylamino}-1-phenyl-2-buten-1-one
Conditions | Yield |
---|---|
With silica-supported ferric hydrogensulfate/[Fe(HSO4)3*SiO2] In neat (no solvent) at 20℃; for 0.266667h; regioselective reaction; | 100% |
In ethanol Heating; |
Conditions | Yield |
---|---|
In ethanol at 20℃; for 4h; Reflux; | 100% |
In ethanol for 1h; Heating; | 69% |
In benzene for 24h; Ambient temperature; |
3,4,5-trimethoxy-benzaldehyde
Trimethylenediamine
N,N'-bis-(3,4,5-trimethoxybenzylidene)-1,3-diaminopropane
Conditions | Yield |
---|---|
In methanol for 1h; Ambient temperature; | 100% |
In ethanol for 1h; Heating; | 59% |
In methanol at 20℃; |
4-methoxy-benzaldehyde
Trimethylenediamine
N,N′-bis[(4-methoxyphenyl)methlylidene]propane-1,3-diamine
Conditions | Yield |
---|---|
In ethanol at 20℃; for 4h; Reflux; | 100% |
In ethanol at 20℃; for 4h; | 96.2% |
In methanol for 2h; Reflux; | 90% |
salicylaldehyde
Trimethylenediamine
N,N'-propane-1,3-diylbis(salicylideneimine)
Conditions | Yield |
---|---|
In ethanol at 20℃; for 4h; Reflux; | 100% |
In methanol at 20℃; for 0.5h; | 97% |
In ethanol | 97% |
di-tert-butyl dicarbonate
Trimethylenediamine
N-Boc-1,3-diaminopropane
Conditions | Yield |
---|---|
In chloroform 1.) 3 h, ice bath, 2.) room temperature, 16 h; | 100% |
In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; | 100% |
In 1,4-dioxane for 20h; Ambient temperature; | 98% |
2-Hydroxy-5-methylisophthalaldehyde
Trimethylenediamine
N,N'-propylenebis(3-formyl-5-methylsalicylaldimine)
Conditions | Yield |
---|---|
100% | |
In isopropyl alcohol at 20℃; for 1h; | 47% |
In ethanol Heating; |
Trimethylenediamine
8-bromo-2',3'-O-isopropylene adenosine
{(3aR,4R,6R,6aR)-6-[6-Amino-8-(3-amino-propylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl}-methanol
Conditions | Yield |
---|---|
In water at 120℃; | 100% |
Conditions | Yield |
---|---|
With sodium hypochlorite In water at -5 - 20℃; for 13h; | 100% |
With sodium hydroxide; sodium hypochlorite In water at 20℃; for 6h; | 80% |
With sodium hypochlorite In water at 0 - 5℃; | |
With tert-butylhypochlorite In methanol at -5 - 5℃; for 24h; |
Trimethylenediamine
ethyl 2-cyanoacetate
2-cyano-N-[3-(2-cyanoacetylamino)propyl]acetamide
Conditions | Yield |
---|---|
100% | |
for 24h; Ambient temperature; | 90% |
at 20℃; for 1h; | 88% |
Trimethylenediamine
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 70℃; | 100% |
11-chloro-10H-indolo-[3,2-b]quinoline
Trimethylenediamine
N1-(10H-indolo[3,2-b]quinolin-11-yl)propane-1,3-diamine
Conditions | Yield |
---|---|
With hydrogenchloride In 2-ethoxy-ethanol for 15h; Heating; | 100% |
Stage #1: 11-chloro-10H-indolo-[3,2-b]quinoline; Trimethylenediamine With hydrogenchloride In 2-ethoxy-ethanol; water for 17h; Reflux; Stage #2: With potassium hydroxide In 2-ethoxy-ethanol; water Cooling with ice; | 75.7% |
(-)-dimethy-2,3-O-isopropylidene-L-tartrate
Trimethylenediamine
(4R,5R)-2,2-Dimethyl-[1,3]dioxolane-4,5-dicarboxylic acid bis-[(3-amino-propyl)-amide]
Conditions | Yield |
---|---|
In methanol for 216h; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
In ethanol epoxide:amine=2:1; | 100% |
Trimethylenediamine
(2S,4R)-4-(methanesulfonyloxy)-2-[(methanesulfonyloxy)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester
(1S,4S)-5-(3-aminopropyl)-2-(tert-butoxycarbonyl)-2,5-diazabicyclo[2.2.1]heptane
Conditions | Yield |
---|---|
4 h, 60 deg C, 8 h; | 100% |
(+)-dimethyl-2,3-O-isopropylidene-D-tartrate
Trimethylenediamine
Conditions | Yield |
---|---|
at 20℃; for 5.5h; Acylation; | 100% |
at 20℃; for 5.5h; |
4,7-dichloroquinoline
Trimethylenediamine
N-(7-chloroquinolin-4-yl)propane-1,3-diamine
Conditions | Yield |
---|---|
In neat (no solvent) at 110℃; | 100% |
Inert atmosphere; | 100% |
In isopropyl alcohol at 100℃; for 20h; | 98% |
5-hexynoic acid ethyl ester
Trimethylenediamine
N-(3-aminopropyl)hex-5-ynamide
Conditions | Yield |
---|---|
at 60℃; for 48h; | 100% |
(3aS,4S,6R,6aS)-2,2-dimethyl-6-vinyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol
Trimethylenediamine
Conditions | Yield |
---|---|
100% |
Trimethylenediamine
Conditions | Yield |
---|---|
Stage #1: 3β-(4'-chlorophenyl)tropane-2β-carboxylic acid With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In dichloromethane at 0℃; for 0.166667h; Stage #2: Trimethylenediamine In dichloromethane at 20℃; | 100% |
Trimethylenediamine
Conditions | Yield |
---|---|
In ethanol; water at 70℃; for 24h; | 100% |
Conditions | Yield |
---|---|
With silica-supported ferric hydrogensulfate/[Fe(HSO4)3*SiO2] In neat (no solvent) at 20℃; for 0.2h; regioselective reaction; | 100% |
zirconium(IV) chloride at 20℃; for 0.25h; | 95% |
With sulfated zirconia at 20℃; for 0.416667h; | 92% |
(3α,5β)-3,24-bis(3-bromophenoxy)cholane
Trimethylenediamine
N1-[3-((R)-4-{(3S,5R,8R,9S,10S,13R,14S,17R)-3-[3-(3-Amino-propylamino)-phenoxy]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl}-pentyloxy)-phenyl]-propane-1,3-diamine
Conditions | Yield |
---|---|
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane Heating; | 100% |
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; [Pd(dibenzylideneacetone)2] In 1,4-dioxane for 5h; Heating; | 60 % Spectr. |
Conditions | Yield |
---|---|
With acetic acid In ethanol Heating; | 100% |
In methanol; N,N-dimethyl-formamide for 4h; Heating; | 94% |
With acetic acid In methanol for 12h; Reflux; | 85.32% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 120h; | 100% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 72h; | 100% |
titanium
phosphoric acid
water
Trimethylenediamine
Conditions | Yield |
---|---|
In neat (no solvent) Ti:1,3-diaminopropane:H3PO4:H2O ratio = 2:2.21:13.65:500, autoclave, pH=2, 170°C (1 d, autogenous pressure); washing (water, alcohol and acetone); elem. anal.; | 100% |
With boric acid; HF In neat (no solvent) Ti:boric acid:H3PO4:1,3-diaminopropane:HF:H2O ratio = 1:6.54:13.65:2.21:3.36:600; |
The 1,3-Diaminopropane is an organic compound with the formula C3H10N2. The IUPAC name of this chemical is propane-1,3-diamine. With the CAS registry number 109-76-2, it is also named as 1,3-Diamino-n-propane. The product's categories are Amines; alpha,omega-Alkanediamines; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes. Besides, it is a colourless liquid, which should be stored in a cool dry and ventilated place. It can be used not only for medicine, pesticide synthesis, auxiliary materials of paper making, textile and leather industries, but also for the synthesis of epoxy curing agent.
Physical properties about 1,3-Diaminopropane are: (1)ACD/LogP: -1.42; (2)ACD/LogD (pH 5.5): -5.52; (3)ACD/LogD (pH 7.4): -5.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 23.01 cm3; (14)Molar Volume: 85.4 cm3; (15)Polarizability: 9.12×10-24cm3; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 0.867 g/cm3; (18)Flash Point: 48.9 °C; (19)Enthalpy of Vaporization: 40.85 kJ/mol; (20)Boiling Point: 135.5 °C at 760 mmHg; (21)Vapour Pressure: 7.7 mmHg at 25°C.
Preparation: this chemical can be prepared by dibromopropane and saturated ammonia and ethanol.
Uses of 1,3-Diaminopropane: it can be used to produce 1,5-diaza-bicyclo[3.1.0]hexane at temperature of 0 °C. It will need reagent aq. HCl and NaOCl with reaction time of 24 hours.
When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause severe burns. When you are using it, wear suitable gloves and eye/face protection, keep away from sources of ignition - No smoking and avoid contact with eyes In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: NCCCN
(2)InChI: InChI=1/C3H10N2/c4-2-1-3-5/h1-5H2
(3)InChIKey: XFNJVJPLKCPIBV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
(5)Std. InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 296mg/kg (296mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977. | |
rabbit | LD50 | skin | 200uL/kg (0.2mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | oral | 350uL/kg (0.35mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |
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