| Identification | More | [Name]
N-Boc-1,3-propanediamine | [CAS]
75178-96-0 | [Synonyms]
1-BOC-AMINO-1,3-PROPANEDIAMINE
(3-AMINO-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
3-(N-BOC-AMINO) PROPYLAMINE
AURORA KA-4396
BUTTPARK 27\08-80
CARBAMIC ACID, (3-AMINOPROPYL)-, 1,1-DIMETHYLETHYL ESTER
MONO-N-(T-BOC)-PROPYLENEDIAMINE
N-(3-AMINOPROPYL)CARBAMIC ACID TERT-BUTYL ESTER
N-BOC-1,3-DIAMINOPROPANE
N-BOC-1,3-PROPANEDIAMINE
N-(TERT-BUTOXYCARBONYL)-1,3-DIAMINOPROPANE
N-(TERT-BUTOXYCARBONYL)-1,3-PROPANEDIAMINE
RARECHEM AR PA 0022
TERT-BUTYL N-(3-AMINOPROPYL)CARBAMATE
N-BOC-1,3-propylenediamine
N-t-BOC-1,3-PROPANEDIAMINE
Boc-1,3-Propanediamine
TERT-BUTYL N-(3-AMINOPROPYL)CARBAMATE, 9 5%
N-T-Boc-1,3-Diaminopropane
Carbamic acid, (3-aminopropyl)-, 1,1-dimethylethyl ester (9CI) | [EINECS(EC#)]
628-600-3 | [Molecular Formula]
C8H18N2O2 | [MDL Number]
MFCD00210021 | [Molecular Weight]
174.24 | [MOL File]
75178-96-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
22 °C (lit.) | [Boiling point ]
203 °C (lit.) | [density ]
0.998 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.454(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
Miscible with methanol. | [form ]
Liquid | [pka]
12.73±0.46(Predicted) | [color ]
Colorless | [Specific Gravity]
0.998 | [Sensitive ]
Air Sensitive | [Detection Methods]
GC,NMR | [BRN ]
3588328 | [InChI]
1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11) | [InChIKey]
POHWAQLZBIMPRN-UHFFFAOYSA-N | [SMILES]
NCCCNC(OC(C)(C)C)=O | [CAS DataBase Reference]
75178-96-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H302-H314 | [Precautionary statements ]
P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338 | [Hazard Codes ]
C | [Risk Statements ]
R22:Harmful if swallowed.
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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 label where possible) . | [RIDADR ]
UN 3259 8/PG 3
| [WGK Germany ]
3
| [F ]
10-34 | [Hazard Note ]
Irritant | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29241990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Acute Tox. 4 Oral
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to light yellow liquid | [Uses]
suzuki reaction | [reaction suitability]
reagent type: cross-linking reagent
reagent type: spacer | [Synthesis]
GENERAL PROCEDURE: To a suspension of 1,3-propanediamine (20.0 g, 172 mmol) in 50 mL of dichloromethane (DCM) cooled to 0°C, a solution of di-tert-butyl dicarbonate (Boc2O, 3.75 g, 17.2 mmol) in 24 mL of DCM was slowly added. After addition, the ice bath was removed and the reaction mixture was stirred at room temperature for 18 hours. After completion of the reaction, the precipitate was removed by filtration and the filtrate was washed sequentially with saturated aqueous sodium bicarbonate (NaHCO3) (3 x 50 mL), water (2 x 50 mL) and brine (50 mL). The organic layer was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to give an oily product N-tert-butoxycarbonyl-1,3-propanediamine 3.1 g in 84% yield. | [References]
[1] Journal of Organic Chemistry, 1997, vol. 62, # 2, p. 411 - 416
[2] Liebigs Annales, 1996, # 6, p. 935 - 939
[3] Bioorganic and Medicinal Chemistry, 2002, vol. 10, # 4, p. 1009 - 1018
[4] Organic and Biomolecular Chemistry, 2015, vol. 14, # 2, p. 455 - 459
[5] New Journal of Chemistry, 2018, vol. 42, # 12, p. 10142 - 10147 |
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