| Identification | Back Directory | [Name]
4-(CHLOROMETHYL)BENZYL ALCOHOL 99 | [CAS]
16473-35-1 | [Synonyms]
Plerixafor Impurity 44
p-hydroxymethylbenzyl chloride
4-(hydroxymethyl)benzyl chloride
4-(CHLOROMETHYL)BENZYL ALCOHOL 99
BenzeneMethanol, 4-(chloroMethyl)-
4-(ChloroMethyl)benzyl alcohol 99%
4-(ChloroMethyl)benzyl alcohol
1-(Chloromethyl)-4-(hydroxymethyl)benzene | [Molecular Formula]
C8H9ClO | [MDL Number]
MFCD03427011 | [MOL File]
16473-35-1.mol | [Molecular Weight]
156.61 |
| Chemical Properties | Back Directory | [Melting point ]
58-60 °C (lit.) | [Boiling point ]
276℃ | [density ]
1.195 | [Fp ]
123℃ | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
wooly solid | [pka]
14.27±0.10(Predicted) | [color ]
White | [InChI]
InChI=1S/C8H9ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2 | [InChIKey]
OGALXJIOJZXBBP-UHFFFAOYSA-N | [SMILES]
C1(CO)=CC=C(CCl)C=C1 |
| Hazard Information | Back Directory | [Uses]
4-(Chloromethyl)benzyl alcohol may be used in the synthesis of 4-(chloromethyl)benzyl acetate. | [General Description]
4-(Chloromethyl)benzyl alcohol can be synthesized from 4-(chloromethyl)benzoyl chloride. | [Synthesis]
Example 1: (1) Synthesis of [4-(chloromethyl)benzyl]alcohol: To a solution of tetrahydrofuran containing 4-(chloromethyl)benzoic acid (60 mL THF), 1M borane-THF solution (90 mL) was slowly added. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, methanol (50 mL) was added to quench the reaction. Subsequently, the solvent was removed by rotary evaporator and the obtained residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate = 4/1 to 3/1) to afford 4-(chloromethyl)benzyl alcohol (8.84 g, 96% yield) as a colorless solid. | [References]
[1] Patent: WO2003/106403, 2003, A1. Location in patent: Page 23
[2] Patent: US5387709, 1995, A
[3] Patent: WO2015/51045, 2015, A2. Location in patent: Page/Page column 161-162
[4] Patent: US2016/215288, 2016, A1. Location in patent: Paragraph 0602; 0611
[5] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 16, p. 4481 - 4486 |
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