3-(4-[(2-cyanoethyl)amino]butylamino)propanenitrile
Spermine
Conditions | Yield |
---|---|
With sodium; butan-1-ol | |
With diethyl ether; ammonia; nickel at 140℃; under 250073 Torr; Hydrogenation; | |
With hydrogenchloride; platinum Hydrogenation; |
1,2-bis(1,4,5,6-tetrahydropyrimidin-2-yl)ethane
Spermine
Conditions | Yield |
---|---|
With sulfuric acid; diisobutylaluminium hydride; 1,1,1,3,3,3-hexamethyl-disilazane 1.) reflux, 12 h, 2.) xylene, reflux, 3 d; Yield given. Multistep reaction; |
kinetin
A
N-(3-aminopropyl)-1,4-diaminobutane
B
Spermine
C
1,4-diaminobutane
Conditions | Yield |
---|---|
at 30℃; for 24h; effect on poliamine content and ratio in rice embryos of Oryza sativa; |
(R)-(-)-abscisic acid
A
N-(3-aminopropyl)-1,4-diaminobutane
B
Spermine
C
1,4-diaminobutane
Conditions | Yield |
---|---|
at 30℃; for 24h; effect on poliamine content and ratio in rice embryos of Oryza sativa; |
Conditions | Yield |
---|---|
With hydrogenchloride at 150℃; for 18h; sealed tube; |
Conditions | Yield |
---|---|
Yield given. Multistep reaction; |
N'-(4-(N'-hexahydropyrimidyl) butyl)-hexahydro-pyrimidine
A
formaldehyd
B
Spermine
Conditions | Yield |
---|---|
With hydrogenchloride Heating; |
1,1'-(butane-1,4-diyl)-2,2'-diphenylbis(hexahydropyrimidine)
A
Spermine
B
benzaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride at 20℃; |
Spermine
Conditions | Yield |
---|---|
With ethanol; ammonia at 100℃; |
Conditions | Yield |
---|---|
at 100℃; anschl. mit wss. KOH, anschl. Erhitzen mit HCl auf 100grad; |
Conditions | Yield |
---|---|
With pentan-1-ol Erwaermen des Reaktionsprodukts mit Hydrazin-hydrat in Aethanol; |
Spermine
Conditions | Yield |
---|---|
With sodium hydroxide; phosphate buffer at 37℃; pH=5.60 - 8.50; Kinetics; Further Variations:; pH-values; |
3,10-dioxo-4,9-diazadodecanediamide
Spermine
Conditions | Yield |
---|---|
With borane-THF In tetrahydrofuran for 7h; Heating; |
N-[4-(2-methoxycarbonyl-acetylamino)-butyl]-malonamic acid methyl ester
Spermine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: NH3 / methanol / 7 °C 2: BH3*THF / tetrahydrofuran / 7 h / Heating View Scheme |
C24H30N4O4S2
Spermine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 97 percent / sodium methoxide / methanol / 0.33 h / 0 °C 2: 1.) hexamethyldisilazane, fuming sulfuric acid, 2.) diisobutylaluminum hydride / 1.) reflux, 12 h, 2.) xylene, reflux, 3 d View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 2) Ba(OH)2 View Scheme |
A
N-(3-aminopropyl)-1,4-diaminobutane
B
Spermine
C
N-ethyl-1,3-diaminopropane
Conditions | Yield |
---|---|
With recombinant human polyamine oxidase pH=9.5; Kinetics; pH-value; Reagent/catalyst; Enzymatic reaction; |
Conditions | Yield |
---|---|
With recombinant human polyamine oxidase pH=9.5; Kinetics; pH-value; Reagent/catalyst; Enzymatic reaction; |
N-(3-benzylaminopropyl)-N'-(3-ethylaminopropyl)butane-1,4-diamine
A
N-(3-aminopropyl)-1,4-diaminobutane
B
Spermine
C
N-ethyl-1,3-diaminopropane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: spermine oxidase / pH 9.5 / Enzymatic reaction 2: recombinant human polyamine oxidase / pH 9.5 / Enzymatic reaction View Scheme | |
Multi-step reaction with 2 steps 1: recombinant human polyamine oxidase / pH 9.5 / Enzymatic reaction 2: recombinant human polyamine oxidase / pH 9.5 / Enzymatic reaction View Scheme |
1,14-bis(phenylmethyl)-1,5,10,14-tetraazatetradecane tetrahydrochloride
A
N-(3-aminopropyl)-1,4-diaminobutane
B
Spermine
C
benzylamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: recombinant human polyamine oxidase / pH 9.5 / Enzymatic reaction 2: recombinant human polyamine oxidase / pH 9.5 / Enzymatic reaction View Scheme |
Conditions | Yield |
---|---|
With Thermus thermophilus triamine/agmatine aminopropyltransferase; diothiothreitol at 37℃; pH=9; Kinetics; aq. buffer; Enzymatic reaction; |
A
Spermine
B
N,N,N',N'-tetra(3-aminopropyl)-1,4-butanediamine
Conditions | Yield |
---|---|
With ammonia; hydrogen In tetrahydrofuran at 50℃; under 33753.4 Torr; Autoclave; |
Spermine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: thionyl chloride; methanol / 2 h / 0 - 20 °C / Inert atmosphere 2.1: N-ethyl-N,N-diisopropylamine; dmap / N,N-dimethyl-formamide / 24 h / 20 °C 2.2: 24 h / 0 - 20 °C / Inert atmosphere View Scheme |
Spermine
Conditions | Yield |
---|---|
Stage #1: C22H32N6O8S2 With dmap; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 24h; Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene; 2-hydroxyethanethiol In N,N-dimethyl-formamide at 0 - 20℃; for 24h; Inert atmosphere; Stage #3: With trifluoroacetic acid In dichloromethane | 30 mg |
Spermine
N-ethoxycarbonylphthalimide
1,12-diphthalimido-4,9-diazadodecane
Conditions | Yield |
---|---|
In chloroform at 20℃; for 1h; | 100% |
In dichloromethane Ambient temperature; | 86% |
In chloroform Ambient temperature; | 70% |
Spermine
3-(4'-acetoxyphenyl)propionyl chloride
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; | 100% |
Conditions | Yield |
---|---|
Stage #1: 3-indolylglyoxylic acid; Spermine With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide at 20℃; for 23h; Inert atmosphere; Stage #2: trifluoroacetic acid In methanol; water | 100% |
Conditions | Yield |
---|---|
In methanol at 20℃; for 0.5h; | 99% |
Spermine
Conditions | Yield |
---|---|
With nitrogen(II) oxide In acetonitrile under 3800 Torr; for 20h; Ambient temperature; | 98% |
Spermine
ethyl trifluoroacetate,
N1,N12-di(trifluoroacetyl)-1,12-diamino-4,9-diazadodecane
Conditions | Yield |
---|---|
With water In methanol Heating; | 98% |
In water; acetonitrile at 100℃; | 95% |
In water; acetonitrile | 94% |
Spermine
(E)-3-(4-hydroxyphenyl)-2-methyl-2-propenoyl chloride
N1,N5,N10,N14-tertakis[3-(4-acetoxyphenyl)-2-methyl-2-propenoyl]-1,5,10,14-tetraazatetradecane
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; | 98% |
Conditions | Yield |
---|---|
In dichloromethane at 20℃; | 98% |
Conditions | Yield |
---|---|
In water for 0.25h; | 98% |
Spermine
9-(5-O-dimethoxytrityl-2-deoxy-β-D-erythro-pentofuranose)-6-(1,2,4-triazol-4-yl)purine
5'-O-dimethoxytrityl-6-N-(4,9,13-triazatridecane-1-yl)-2'-deoxyadenosine
Conditions | Yield |
---|---|
With pyridine at 70℃; for 8h; Substitution; | 97% |
In pyridine at 70℃; Substitution; |
Spermine
succinimidyl (E)-3-(trioxsalen-4'-yl)propenoate
Conditions | Yield |
---|---|
In dichloromethane at 25℃; for 1h; | 96% |
formaldehyd
Spermine
N'-(4-(N'-hexahydropyrimidyl) butyl)-hexahydro-pyrimidine
Conditions | Yield |
---|---|
In water at 0℃; for 0.833333h; | 95% |
In water at 20℃; for 20h; |
Spermine
benzaldehyde
1,1'-(butane-1,4-diyl)-2,2'-diphenylbis(hexahydropyrimidine)
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane at -78 - 23℃; | 95% |
In benzene Heating; |
Spermine
ethyl trifluoroacetate,
di-tert-butyl dicarbonate
1-trifluoroacetyl-5,10,14-tris-Boc-spermine
Conditions | Yield |
---|---|
Stage #1: Spermine; ethyl trifluoroacetate, In methanol at -78 - 0℃; for 1h; Stage #2: di-tert-butyl dicarbonate In methanol at 0 - 25℃; for 15h; | 95% |
Stage #1: Spermine; ethyl trifluoroacetate, In methanol at -78 - 4℃; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In methanol at 4℃; Inert atmosphere; | 82.9% |
Stage #1: Spermine; ethyl trifluoroacetate, In methanol at -78℃; for 1h; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In methanol at 0 - 25℃; for 24h; Inert atmosphere; | 49% |
1) MeOH, 78 deg C, 1 h then 0 deg C, 1 h, 2) MeOH, 0 to 25 deg C, 1 h; Multistep reaction; | |
Stage #1: Spermine; ethyl trifluoroacetate, In methanol at -78 - 0℃; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In methanol at 0 - 20℃; for 18h; Inert atmosphere; |
Spermine
dihydrocholesterone
3β-(12-amino-4,9-diaza-dodecyl)amino-cholestane
Conditions | Yield |
---|---|
Stage #1: Spermine; dihydrocholesterone With titanium(IV) isopropylate In methanol at 20℃; for 12h; Stage #2: With sodium tetrahydroborate In methanol at -78℃; for 2h; Further stages.; | 95% |
Conditions | Yield |
---|---|
In water; acetonitrile Heating; | 94% |
With water In acetonitrile Heating; | 93% |
In acetonitrile Reflux; | 93% |
With water In acetonitrile Reflux; | 93% |
With water In acetonitrile Reflux; |
Spermine
C17H30N4O
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 0.5h; regioselective reaction; | 93% |
Conditions | Yield |
---|---|
Stage #1: Spermine; 3-Phenylpropionic acid With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide at 20℃; for 23h; Inert atmosphere; Stage #2: trifluoroacetic acid In N,N-dimethyl-formamide Inert atmosphere; | 92% |
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 3h; | 91% |
In dichloromethane for 15h; Ambient temperature; | 91% |
In dichloromethane Ambient temperature; | 91% |
Spermine
trifluoromethylsulfonic anhydride
C,C,C-Trifluoro-N-(3-trifluoromethanesulfonylamino-propyl)-N-{4-[trifluoromethanesulfonyl-(3-trifluoromethanesulfonylamino-propyl)-amino]-butyl}-methanesulfonamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 1h; Ambient temperature; -30 deg C up to r.t.; | 90% |
Spermine
N2-benzyloxycarbonyl-N6-t-butoxycarbonyl-L-lysine 4-nitrophenyl ester
((S)-5-{3-[4-(3-Amino-propylamino)-butylamino]-propylcarbamoyl}-5-benzyloxycarbonylamino-pentyl)-carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran for 2.5h; Ambient temperature; | 90% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 50℃; | 90% |
Spermine
8-bromocaffeine
Conditions | Yield |
---|---|
In ethanol for 40h; Reflux; | 90% |
In ethanol |
Spermine
(E)-3-(4-Nitro-phenyl)-acrylic acid 2,5-dioxo-pyrrolidin-1-yl ester
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; | 89% |
Conditions | Yield |
---|---|
With sodium hydroxide In dichloromethane | 88% |
Conditions | Yield |
---|---|
With water In acetonitrile for 18h; Heating / reflux; | 88% |
Spermine
N-ethoxycarbonylphthalimide
Conditions | Yield |
---|---|
In tetrahydrofuran at 23℃; for 2h; | 87% |
Spermine
(E)-3,4-di-O-acetylcaffeoyl chloride
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; | 87% |
Spermine
di-tert-butyl dicarbonate
di-tert-butyl butane-1,4-diylbis((3-aminopropyl)carbamate)
Conditions | Yield |
---|---|
Stage #1: Spermine With ethyl trifluoroacetate, In methanol at 0℃; for 0.5h; Stage #2: di-tert-butyl dicarbonate In methanol at 20℃; Stage #3: With sodium hydroxide In methanol at 20℃; for 4h; | 87% |
Stage #1: Spermine With ethyl trifluoroacetate, In methanol at -78℃; for 16h; Stage #2: di-tert-butyl dicarbonate In dichloromethane at 20℃; for 12h; Stage #3: With sodium hydroxide In methanol at 20℃; for 12h; |
Spermine
Conditions | Yield |
---|---|
With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine In chloroform for 48h; Ambient temperature; | 86.3% |
With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine In chloroform at 20℃; Inert atmosphere; | |
With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine In chloroform at 20℃; Inert atmosphere; |
Product Name: Diaminopropyltetramethylenediamine (CAS NO.71-44-3)
Empirical Formula: C10H26N4
Molecular Weight: 202.3402
EINECS: 206-189-8
Melting point: 310-311 °C (dec.)(lit.)
Appearance: Clear colorless liquid
Storage temp.: 2-8°C
Solubility: H2O: 1 M at 20 °C, clear, colorless
Form: Powder
Sensitive: Air Sensitive & Hygroscopic
Stable: Stable. Reacts with water.
Index of Refraction: 1.484
Density: 0.925 g/cm3
Flash Point: 175.6 °C
Enthalpy of Vaporization: 54.91 kJ/mol
Boiling Point: 308.4 °C at 760 mmHg
Vapour Pressure: 0.000683 mmHg at 25 °C
Surface Tension: 38.3 dyne/cm
Index of Refraction: 1.484
Molar Refractivity: 62.63 cm3
Molar Volume: 218.5 cm3
XLogP3-AA: -1.1
H-Bond Donor: 4
H-Bond Acceptor: 4
Structure Descriptors of Diaminopropyltetramethylenediamine (CAS NO.71-44-3):
IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine
Canonical SMILES: C(CCNCCCN)CNCCCN
InChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N
Product Categories: Aliphatics; Amines
Diaminopropyltetramethylenediamine (CAS NO.71-44-3) can be used as an organic phosphorus pesticide intermediats. At the same time, it is a typical anionic surfactant with good penetration, emulsification, foam and decontamination capabilities, so it is widely used in chemical, pesticide, fiber, electric crossing, mineral and other industries, especiallily for cosmetics, toothpaste, shampoo and other manufacturings. In the textile industry, it is used for washing wool and silk.
Take coconut oil as the raw material and then with Sulfuric acid by sulfonation to get: Diaminopropyltetramethylenediamine (CAS NO.71-44-3).
1. | mmo-sat 100 µmol/L | AMACCQ Antimicrobial Agents and Chemotherapy. 9 (1976),77. | ||
2. | cyt-hmn:hla 2 mmol/L | JCLLAX Journal of Cellular Physiology. 78 (1971),217. | ||
3. | dni-rat:lvr 100 µmol/L | BIJOAK Biochemical Journal. 146 (1975),697. | ||
4. | ipr-rat LD50:33 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 88 (1987),433. | ||
5. | ivn-rat LD50:65 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 165 (1967),374. | ||
6. | orl-mus LD30:650 mg/kg | AGACBH Agents and Actions, A Swiss Journal of Pharmacology. 14 (1984),228. | ||
7. | ipr-mus LDLo:8 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 23 (1972),288. | ||
8. | scu-mus LD30:280 mg/kg | AGACBH Agents and Actions, A Swiss Journal of Pharmacology. 14 (1984),228. | ||
9. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00641 . |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
Safety Information of Diaminopropyltetramethylenediamine (CAS NO.71-44-3):
Hazard Codes: Xi,C
Risk Statements: 36/38-34
R34:Causes burns.
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36-45-36/37/39-27
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36:Wear suitable protective clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
Diaminopropyltetramethylenediamine , its cas register number is 71-44-3. It also can be called N,N'-Bis(3-aminopropyl)-1,4-butandiamin ; N,N'-Bis(3-aminopropyl)tetramethylenediamine ; 4,9-Diazadodecamethylenediamine ; and 1,4-Butanediamine, N1,N4-bis(3-aminopropyl)- .
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