ChemicalBook--->CAS DataBase List--->42142-52-9

42142-52-9

42142-52-9 Structure

42142-52-9 Structure
IdentificationMore
[Name]

3-Hydroxy-N-methyl-3-phenyl-propylamine
[CAS]

42142-52-9
[Synonyms]

3-HYDROXY-N-METHYL-3-PHENYLPROPYLAMINE
3-METHYLAMINO-1-PHENYL-1-PROPANOL
3-(METHYLAMINO)-1-PHENYLPROPAN-1-OL
3-METHYLAMINO-1-PHENYLPROPANOL
ALPHA-(2-METHYLAMINO)-ETHYLBENZENEMETHANOL
ALPHA-[2-(METHYLAMINO)ETHYL]BENZYL ALCOHOL
N-METHYL-3-HYDROXY-3-PHENYL PROPYLAMINE
N-METHYL-3-PHENYL-3-HYDROXYPROPYLAMINE
A-[2-(Methylamino)Ethyl]Benzenemethanol
3-N-methyl-1-phenyl-propanol
α-[2-(Methylamino)ethyl]benzenemethanol
N-Methyl-3-Phenyl-3-Hydroxypropylamin
3-Methylamino-1-phenylpropane-1-ol
3-Hydroxy-N-methyl-3-phenyl-pr
α-[2-(methylamino)ethyl]benzyl alcohol
1-PHENYL-3-METHYLAMINO-1-PROPANOL
PHENYL METHYL AMINO PROPANOL
BENZENEMETHANOL,A-[2-(METHYLAMINO)ETHYL]
3-methylamino-1-phenylpropano
Benzenemethanol, α-[2-(methylamino)ethyl]-
[EINECS(EC#)]

255-679-8
[Molecular Formula]

C10H15NO
[MDL Number]

MFCD00674078
[Molecular Weight]

165.23
[MOL File]

42142-52-9.mol
Chemical PropertiesBack Directory
[Melting point ]

64 °C
[Boiling point ]

170 °C / 31mmHg
[density ]

1.017±0.06 g/cm3(Predicted)
[vapor pressure ]

0.037Pa at 25℃
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DMSO (Soluble), Methanol (Slightly)
[form ]

Solid
[pka]

14.24±0.20(Predicted)
[color ]

Off-White to Pale Yellow
[InChI]

InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
[InChIKey]

XXSDCGNHLFVSET-UHFFFAOYSA-N
[SMILES]

C(C1C=CC=CC=1)(O)CCNC
[LogP]

0.98
[CAS DataBase Reference]

42142-52-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

2922199695
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-(METHYLAMINO)ACRYLOPHENONE-->3-iodo-1-phenylpropan-1-ol-->2-Methyl-5-phenylisoxazolidine-->1-Propanone, 3-[methyl(phenylmethyl)amino]-1-phenyl--->3-METHYLAMINO-1-PHENYLACETONE HYDROCHLORIDE-->3-(N-Benzyl-N-methylamino)propiophenone hydrochloride-->3-CHLORO-1-PHENYL-1-PROPANOL-->Methylamine-->3-Chloropropiophenone-->1-Phenyl-2-propen-1-one-->Cinnamaldehyde
[Preparation Products]

Fluoxetine-->tert-butyl 3-hydroxy-3-phenylpropyl(methyl)carbamate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Hydroxy-N-methyl-3-phenyl-propylamine(42142-52-9).msds
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

3-Hydroxy-N-methyl-3-phenyl-propylamine is an aromatic amino alcohol used as an initiator in radical addition reactions with tetrahalomethanes.
[Synthesis]

3-Hydroxy-N-methyl-3-phenyl-propylamine is one of important intermediate of preparation fluoxetine Hydrochloride. Up to now, the method for preparing N-methyl-3-phenyl-3-hydroxy-propylamine is mainly divided into three kinds; the first kind of be replace (halogen with 3-, dialkylamine, amido or ethoxycarbonyl) Propiophenone be starting raw material, earlier after reduction, the 1-phenylpropyl alcohol that 3-is replaced is converted into 3-Hydroxy-N-methyl-3-phenyl-propylamine again; Second kind and being: the different azoles alkane of 2-methyl-5-phenyl is carried out reductive ring open makes target compound; The third be: with getting the 1-phenylpropyl alcohol that 3-replaces behind epoxy styrene and the derivative reductive ring open thereof, be translated into target compound earlier.
[References]

[1] Patent: CN103992236, 2016, B. Location in patent: Paragraph 0051;0054; 0055
[2] Angewandte Chemie - International Edition, 2005, vol. 44, # 11, p. 1687 - 1689
Spectrum DetailBack Directory
[Spectrum Detail]

3-Hydroxy-N-methyl-3-phenyl-propylamine(42142-52-9)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

42142-52-9(sigmaaldrich)
[TCI AMERICA]

alpha-[2-(Methylamino)ethyl]benzyl Alcohol,>98.0%(GC)(T)(42142-52-9)
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