ChemicalBook > CAS DataBase List > tert-Butyl N-(4-aminobutyl)carbamate

tert-Butyl N-(4-aminobutyl)carbamate

Product Name
tert-Butyl N-(4-aminobutyl)carbamate
CAS No.
68076-36-8
Chemical Name
tert-Butyl N-(4-aminobutyl)carbamate
Synonyms
N-BOC-1,4-BUTANEDIAMINE;N-BOC-1,4-DIAMINOBUTANE;N-(TERT-BUTOXYCARBONYL)-1,4-DIAMINOBUTANE;BOC-DAB HCL;AURORA KA-4397;Boc-NH-(CH2)4-NH2;BUTTPARK 121\06-09;RARECHEM AR PA 0023;BOC-NH(CH2)4NH2 HCL;BOC-DIAMINOBUTANE HCL
CBNumber
CB0166423
Molecular Formula
C9H20N2O2
Formula Weight
188.27
MOL File
68076-36-8.mol
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tert-Butyl N-(4-aminobutyl)carbamate Property

Boiling point:
292.9±23.0 °C(Predicted)
Density 
0.984 g/mL at 20 °C(lit.)
refractive index 
n20/D 1.460
Flash point:
109 °C
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
Chloroform, DMSO, Methanol
pka
12.86±0.46(Predicted)
form 
Liquid
color 
Clear colorless to light yellow
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)
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Safety

Hazard Codes 
C
Risk Statements 
34-24
Safety Statements 
26-36/37/39-45
RIDADR 
UN 2735 8/PG 3
WGK Germany 
3
F 
10-34
HazardClass 
8
PackingGroup 
Ⅲ
HS Code 
29241990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P363Wash contaminated clothing before reuse.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
15404
Product name
N-Boc-1,4-butanediamine
Purity
≥97.0% (GC/NT)
Packaging
1ml
Price
$82.6
Updated
2025/07/31
Sigma-Aldrich
Product number
15404
Product name
N-Boc-1,4-butanediamine
Purity
≥97.0% (GC/NT)
Packaging
5ml
Price
$392
Updated
2025/07/31
TCI Chemical
Product number
A1373
Product name
N-(tert-Butoxycarbonyl)-1,4-diaminobutane
Purity
>98.0%(GC)(T)
Packaging
1g
Price
$64
Updated
2025/07/31
TCI Chemical
Product number
A1373
Product name
N-(tert-Butoxycarbonyl)-1,4-diaminobutane
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$182
Updated
2025/07/31
TCI Chemical
Product number
A1373
Product name
N-(tert-Butoxycarbonyl)-1,4-diaminobutane
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$607
Updated
2025/07/31
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tert-Butyl N-(4-aminobutyl)carbamate Chemical Properties,Usage,Production

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

24424-99-5

110-60-1

68076-36-8

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

tert-Butyl N-(4-aminobutyl)carbamate Preparation Products And Raw materials

Raw materials

Di-tert-butyl dicarbonate Chloroform Hydrochloric acid Acetic acid Methanol Sodium hydroxide 1,4-DIAMINOBUTANE

Preparation Products

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tert-Butyl N-(4-aminobutyl)carbamate Suppliers

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View Lastest Price from tert-Butyl N-(4-aminobutyl)carbamate manufacturers

Hebei Fengjia New Material Co., Ltd
Product
tert-Butyl N-(4-aminobutyl)carbamate 68076-36-8
Price
US $56.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
10000
Release date
2024-08-16
Hebei Chuanghai Biotechnology Co., Ltd
Product
tert-Butyl N-(4-aminobutyl)carbamate 68076-36-8
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20 mt
Release date
2025-03-14
Hebei Chuanghai Biotechnology Co,.LTD
Product
tert-Butyl N-(4-aminobutyl)carbamate 68076-36-8
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-20

68076-36-8, tert-Butyl N-(4-aminobutyl)carbamateRelated Search:

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