| Identification | Back Directory | [Name]
(4-AMINOMETHYL-PHENYL)-METHANOL | [CAS]
39895-56-2 | [Synonyms]
RARECHEM AL BW 2299
ASINEX-REAG BAS 13654843
4-HydroxyMethylbenzylaMine
p-(HydroxyMethyl)benzylaMine
4-(AMINOMETHYL)BENZYL ALCOHOL
4-(AMinoMethyl)benzeneMethanol
4-(Aminomethyl)benzylalcohol97%
(4-AMINOMETHYL-PHENYL)-METHANOL
4-(Aminomethyl)benzyl alcohol 97%
BenzeneMethanol, 4-(aMinoMethyl)-
4-(HydroxyMethyl)phenylMethylaMine | [Molecular Formula]
C8H11NO | [MDL Number]
MFCD06213766 | [MOL File]
39895-56-2.mol | [Molecular Weight]
137.18 |
| Chemical Properties | Back Directory | [Appearance]
Off-White Solid | [Melting point ]
80-82°C | [Boiling point ]
280.0±20.0 °C(Predicted) | [density ]
1.113±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer | [solubility ]
DMSO, Methanol | [form ]
Solid | [pka]
14.44±0.10(Predicted) | [color ]
Off-White | [InChI]
InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2 | [InChIKey]
WMOUKOAUAFESMR-UHFFFAOYSA-N | [SMILES]
C1(CO)=CC=C(CN)C=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Synthesis]
A reduction reaction was carried out using 4-hydroxymethylbenzonitrile (2.0 g, 15 mmol) as a raw material in MeOH:NH3 (100 ml) solution under hydrogen (50 psi) atmosphere for 20 hrs using nickel Nguyenay (0.5 g) as a catalyst. Upon completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad to remove the catalyst. The filtrate was concentrated under reduced pressure to afford a white solid (4-aminomethylphenyl) methanol hydrochloride (2.01 g, 98% yield), which was pure enough to be used directly in the subsequent reaction without further purification. The product characterization data were as follows: mass spectrum (APCI+): m/z 138.3 (M+H)+; 1H-NMR (DMSO-d6) δ 7.20 (s, 4H), 5.04 (s, 2H), 4.42 (s, 2H), 3.83 (s, 1H), 2.45 (s, 2H). | [References]
[1] Patent: WO2005/56004, 2005, A1. Location in patent: Page/Page column 154-155
[2] ACS Catalysis, 2018, vol. 8, # 10, p. 9125 - 9130
[3] Journal of Organic Chemistry, 1998, vol. 63, # 22, p. 7663 - 7669
[4] Patent: US2015/259291, 2015, A1. Location in patent: Paragraph 0612
[5] Patent: WO2007/124136, 2007, A1. Location in patent: Page/Page column 130 |
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