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2-BroMo-5-(hydroxyMethyl)phenol

2-BroMo-5-(hydroxyMethyl)phenol structure

CAS No:
2737-19-1
Formula:
C7H7BrO2
Chemical Name:
2-BroMo-5-(hydroxyMethyl)phenol
Synonyms:
2-BroMo-5-(hydroxyMethyl)phenol;4-Bromo-3-hydroxybenzyl alcohol;BenzeneMethanol, 4-broMo-3-hydroxy-;2-Bromo-5-(hydroxymethyl)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-BroMo-5-(hydroxyMethyl)phenol Basic Attributes

Molecular Weight：

203.03328

Exact Mass：

201.962936

DSSTox ID：

DTXSID00543583

HScode：

2908199090

Characteristics

PSA：

40.5

XLogP3：

1.4

Appearance：

Solid

Density：

1.7±0.1 g/cm3

Melting Point：

101-102℃

Flash Point：

141.3±23.7 °C

Refractive Index：

1.636

2-BroMo-5-(hydroxyMethyl)phenol Use and Manufacturing

DEAD (1.049 mL, 5.12 mmol) was added to a solution of compound 4 (1 g, 3.42 mmol) and triphenylphosphine (PPh3, 1.344 g, 5.12 mmol) in THF (17.08 mL) at 0 C. Compound 60 (1.041 g, 5.12 mmol) was added and allowed to stir at RT for 4 h. The solvent was evaporated in vacuo. The crude prodcut was purified by flash chromatography on silica gel using an automated ISCO system (120 gold column. 25% EtO Ac/hexanes) to afford compound 61 (0.713 g, 1.493 mmol, 43.7% yield) as thick oil. MS (ESI) m/z 479.1 (M+H).

Computed Properties

Molecular Weight:203.03
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:201.96294
Monoisotopic Mass:201.96294
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-BroMo-5-(hydroxyMethyl)phenol

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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2-BroMo-5-(hydroxyMethyl)phenol

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