| Identification | More | [Name]
tert-Butyl N-(4-aminobutyl)carbamate | [CAS]
68076-36-8 | [Synonyms]
1-BOC-AMINO-1,4-BUTANEDIAMINE
(4-AMINOBUTYL)CARBAMIC ACID E-TERT-BUTYL ESTER HYDROCHLORIDE
AURORA KA-4397
BOC-1,4-DIAMINOBUTANE HCL
BOC-1,4-DIAMINOBUTANE HYDROCHLORIDE
BOC-DAB HCL
BOC-DIAMINOBUTANE HCL
BOC-NH(CH2)4NH2 HCL
BUTTPARK 121\06-09
MONO-4-N-BOC-1,4-DIAMINOBUTANE
N-1-BOC-1,4-DIAMINOBUTANE HCL
N-1-T-BUTOXYCARBONYL-1,4-DIAMINOBUTANE HYDROCHLORIDE
N-(4-AMINOBUTYL)CARBAMIC ACID TERT-BUTYL ESTER
N-BOC-1,4-BUTANEDIAMINE
N-BOC-1,4-DIAMINOBUTANE
N-BOC-1,4-DIAMINOBUTANE HYDROCHLORIDE
N-T-BOC-BUTANDIAMINE HCL
N-T-BUTYLOXYCARBONYL-1,4-DIAMINOBUTANE HYDROCHLORIDE
N-(TERT-BUTOXYCARBONYL)-1,4-BUTANEDIAMINE
N-(TERT-BUTOXYCARBONYL)-1,4-DIAMINOBUTANE | [Molecular Formula]
C9H20N2O2 | [MDL Number]
MFCD02090802 | [Molecular Weight]
188.27 | [MOL File]
68076-36-8.mol |
| Chemical Properties | Back Directory | [Boiling point ]
292.9±23.0 °C(Predicted) | [density ]
0.984 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.460
| [Fp ]
109 °C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform, DMSO, Methanol | [form ]
Liquid | [pka]
12.86±0.46(Predicted) | [color ]
Clear colorless to light yellow | [Detection Methods]
GC,NMR,MS | [BRN ]
1937878 | [InChI]
InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12) | [InChIKey]
ZFQWJXFJJZUVPI-UHFFFAOYSA-N | [SMILES]
C(OC(C)(C)C)(=O)NCCCCN | [CAS DataBase Reference]
68076-36-8(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H314 | [Precautionary statements ]
P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 | [Hazard Codes ]
C | [Risk Statements ]
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 2735 8/PG 3
| [WGK Germany ]
3
| [F ]
10-34 | [HazardClass ]
8 | [PackingGroup ]
Ⅲ | [HS Code ]
29241990 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Sodium hydroxide-->Hydrochloric acid-->Methanol-->Acetic acid-->Chloroform-->Di-tert-butyl dicarbonate-->1,4-Diaminobutane-->Carbamic acid, N-(cyanophenylmethylene)-, 1,1-dimethylethyl ester-->Carbamic acid, (3-cyanopropyl)-, 1,1-dimethylethyl ester (9CI)-->N,N'-Di-Boc-1,4-butanediaMine-->2-Cyaniminothiazolidine-->tert-butyl (4-azidobutyl)carbamate-->Carbonic acid, bis(1,1-dimethylethyl) ester-->tert-Butyl phenyl carbonate-->2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile | [Preparation Products]
Bis- Boc-spermidine-->Boc-1,4-diaminobutane hydrochloride-->tert-Butyl N-[4-(2-chloroacetamido)butyl]carbamate |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colourless viscous liquid | [Uses]
N-Boc-1,4-diaminobutane is used in preparation of pharmacologically active compounds, preparation of spermidine analogues and in introduction of a C4-spacer. It serve as intermediates of medicine. | [Uses]
suzuki reaction | [reaction suitability]
reagent type: cross-linking reagent | [Synthesis]
Synthesis of compound 19: 1,4-Butanediamine (1 g, 11.36 mmol, 5 eq.) was dissolved in dichloromethane (15 ml). To this solution was slowly added di-tert-butyl dicarbonate (Boc2O, 0.619 g, 2.83 mmol, 1 eq.) dissolved in dichloromethane (15 ml). The reaction mixture was stirred at room temperature for 16 hours. The reaction progression was monitored by thin layer chromatography (TLC, unfolding agent ratio CH2Cl2:MeOH:33% NH4OH aqueous solution = 8:2:0.2). Upon completion of the reaction, the reaction mixture was filtered to remove insoluble impurities and the filtrate was concentrated by rotary evaporator. The resulting oily residue was dissolved with ethyl acetate (15 ml) and washed with saturated sodium chloride solution (3 x 10 ml) to remove unreacted 1,4-butanediamine. The organic phase was dried over anhydrous sodium sulfate and concentrated under reduced pressure to give 0.520 g of yellow oily product in 97.65% yield. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 1.38 (s, 9H), 1.52-1.59 (m, 4H), 2.34 (brs, 2H, D2O exchange), 2.72-2.79 (m, 2H), 3.19-3.24 (m, 2H), 5.95 (brs, 1H, D2O exchange). | [IC 50]
Alkyl/ether | [References]
[1] Journal of Organic Chemistry, 1997, vol. 62, # 2, p. 411 - 416
[2] Organic Letters, 2001, vol. 3, # 8, p. 1205 - 1208
[3] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 20, p. 7145 - 7155
[4] Journal of Materials Chemistry, 2011, vol. 21, # 13, p. 4850 - 4860
[5] Organic Letters, 2015, vol. 17, # 22, p. 5626 - 5629 |
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