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: 1g
Price: $54
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

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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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