ChemicalBook > CAS DataBase List > 2-(N,N-Dibenzyl)-amino-1,3-propanediol

2-(N,N-Dibenzyl)-amino-1,3-propanediol

Product Name
2-(N,N-Dibenzyl)-amino-1,3-propanediol
CAS No.
246232-73-5
Chemical Name
2-(N,N-Dibenzyl)-amino-1,3-propanediol
Synonyms
2-(DibenzylaMino)propane-1,3-diol;2-(N,N-Dibenzyl)-amino-1,3-propanediol;1,3-Propanediol, 2-[bis(phenylmethyl)amino]-
CBNumber
CB92500750
Molecular Formula
C17H21NO2
Formula Weight
271.35
MOL File
246232-73-5.mol
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2-(N,N-Dibenzyl)-amino-1,3-propanediol Property

Melting point:
81-82 °C(Solv: benzene (71-43-2); hexane (110-54-3))
Boiling point:
455.9±35.0 °C(Predicted)
Density 
1.154±0.06 g/cm3(Predicted)
storage temp. 
2-8°C
pka
14.15±0.10(Predicted)
Appearance
White to light yellow Solid
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

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

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N-Bromosuccinimide Price

TRC
Product number
D418215
Product name
2-(N,N-Dibenzyl)-amino-1,3-propanediol
Packaging
500mg
Price
$65
Updated
2021/12/16
Matrix Scientific
Product number
126938
Product name
2-(Dibenzylamino)propane-1,3-diol
Purity
>95%
Packaging
5g
Price
$134
Updated
2021/12/16
Matrix Scientific
Product number
126938
Product name
2-(Dibenzylamino)propane-1,3-diol
Purity
>95%
Packaging
1g
Price
$54
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0398405
Product name
2-(N,N-DIBENZYL)AMINO-1,3-PROPANEDIOL
Purity
95.00%
Packaging
5MG
Price
$499.7
Updated
2021/12/16
Ambeed
Product number
A138024
Product name
2-(Dibenzylamino)propane-1,3-diol
Purity
97%
Packaging
250mg
Price
$11
Updated
2021/12/16
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2-(N,N-Dibenzyl)-amino-1,3-propanediol Chemical Properties,Usage,Production

Synthesis

100-39-0

534-03-2

246232-73-5

To a solution of 2-amino-1,3-propanediol (S2, 299 mg, 3.28 mmol, 1.0 eq.) in acetonitrile (MeCN, 10 mL) was added potassium carbonate (K2CO3, 2.27 g, 16.4 mmol, 5.0 eq.) and benzyl bromide (0.98 mL, 1.4 g, 8.3 mmol, 2.5 eq.). The reaction mixture was stirred at room temperature for 18 h and subsequently diluted with water (10 mL). The aqueous layer was extracted with ethyl acetate (EtOAc, 3 x 10 mL) and the combined organic phases were dried over anhydrous sodium sulfate (Na2SO4). The solvent was removed by concentration under reduced pressure and the residue was purified by silica gel column chromatography (SiO2, petroleum ether/ethyl acetate 1:1) to afford 2-(N,N-dibenzyl)amino-1,3-propanediol (S3, 716 mg, 2.64 mmol, 80% yield) as a white solid. Thin Layer Chromatography (TLC) Rf 0.20 (petroleum ether/ethyl acetate 1:1); melting point 113°C; 1H NMR (300 MHz, C6D6) δ: 2.30 (bs, 2H, OH), 2.93 (tt, 1H, J = 7.5, 5.9 Hz, 2-H), 3.37 (dd, 2H, J = 10.8, 5.9 Hz, 1-Ha, 3- Ha), 3.48 (dd, 2H, J = 10.8, 7.5 Hz, 1-Hb, 3-Hb), 3.53-3.66 (m, 4H, CH2Ph), 7.01-7.32 (m, 10H, Ph-H); 13C NMR (76 MHz, C6D6) δ: 54.4, 60.2, 60.3, 127.4, 128.7, 129.2, 140.1; infrared spectra (ATR) ν: 3245, 1493, 1451, 1049, 1025, 999, 741, 730, 695 cm-1; UV spectra (MeCN) λmax (logε): 206 (4.28), 259 (2.77) nm; mass spectra (ESI+) m/z: 272.2 (M + H+), 294.2 (M + Na+); high-resolution mass spectrometry (ESI+) m/z: C17H21NNaO2 294.1465 (M + Na+) calculated, 294.1466 measured.

References

[1] Journal of Organic Chemistry, 2012, vol. 77, # 21, p. 9641 - 9651
[2] European Journal of Organic Chemistry, 2008, # 1, p. 53 - 63
[3] Bioorganic and Medicinal Chemistry, 2007, vol. 15, # 1, p. 186 - 193
[4] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 1135 - 1142
[5] Chemistry - A European Journal, 2018, vol. 24, # 60, p. 16136 - 16148

2-(N,N-Dibenzyl)-amino-1,3-propanediol Preparation Products And Raw materials

Raw materials

Preparation Products

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2-(N,N-Dibenzyl)-amino-1,3-propanediol Suppliers

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246232-73-5, 2-(N,N-Dibenzyl)-amino-1,3-propanediolRelated Search:


  • 2-(N,N-Dibenzyl)-amino-1,3-propanediol
  • 2-(DibenzylaMino)propane-1,3-diol
  • 1,3-Propanediol, 2-[bis(phenylmethyl)amino]-
  • 246232-73-5