3,5-DIBROMOBENZYL ALCOHOL Chemical Properties

Melting point:

107-108°C

Boiling point:

328℃

Density 

1.960

Flash point:

152℃

storage temp. 

Sealed in dry,Room Temperature

pka

13.98±0.10(Predicted)

Appearance

Light brown to brown Solid

Water Solubility 

Slightly soluble in water.

InChI

InChI=1S/C7H6Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

InChIKey

ZQNSHKZQTZSNTB-UHFFFAOYSA-N

SMILES

C1(CO)=CC(Br)=CC(Br)=C1

CAS DataBase Reference

145691-59-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

C

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

HS Code 

2906290090

MSDS

• Language:English Provider:ALFA

3,5-DIBROMOBENZYL ALCOHOL Usage And Synthesis

Uses

It is used in the synthesis of substituted benzylamines.

Synthesis

Step 1: To a stirred solution of 3,5-dibromobenzoic acid (2 g, 7.168 mmol) in tetrahydrofuran (20 mL) was slowly added borane dimethyl sulfide (3.4 mL, 35.842 mmol, 5 eq.) at 0 °C. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the mixture was cooled to 0 °C and the reaction was carefully quenched with methanol (appropriate amount). Subsequently, the reaction mixture was concentrated under reduced pressure to afford (3,5-dibromophenyl)methanol as an off-white solid (1.8 g, 94% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 4.47 (d, J = 6Hz, 2H), 5.39 (t, J = 6Hz, 1H), 7.49 (s, 2H), 7.65 (s, 1H).

References

[1] Patent: WO2017/46739, 2017, A1. Location in patent: Page/Page column 60
[2] Patent: JP2005/120047, 2005, A. Location in patent: Page/Page column 165
[3] Synlett, 2002, # 2, p. 251 - 254
[4] European Journal of Medicinal Chemistry, 2011, vol. 46, # 9, p. 4227 - 4237

3,5-DIBROMOBENZYL ALCOHOL(145691-59-4)Related Product Information

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• Methyl 2-amino-3,5-dibromobenzoate
• METHYL 3,5-DIBROMO-4-HYDROXYBENZOATE
• METHYL 3,5-DIBROMO-4-METHYLBENZOATE
• 3',3'',5',5''-TETRABROMOPHENOLPHTHALEIN
• Acid Red 87
• Sulfobromophthalein sodium
• Tetrabromophenol Blue
• Bromocresol green
• METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE
• 3,4,5,6-Tetrabromophenolsulfonephthalein
• 3,5-Dibromo-4-hydroxybenzoic acid
• Tetrabromophthalic anhydride
• 3,5-Dibromosalicylic acid
• Tetrabromo-2-sulfobenzoic acid cyclic anhydride
• 2-Amino-3,5-dibromobenzoic acid
• 2-amino-3,5-dibromo benzyl alchol(2-amino-3,5-dibromo phenol)
• 2-AMINO-3,5-DIBROMOBENZYL ALCOHOL