3-Hydroxy-N-methyl-3-phenyl-propylamine

Base Information

• Chemical Name: 3-Hydroxy-N-methyl-3-phenyl-propylamine
• CAS No.: 42142-52-9
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922199090
• European Community (EC) Number: 255-679-8
• UNII: I28ND993BO
• DSSTox Substance ID: DTXSID40866081
• Nikkaji Number: J278.342H
• Wikidata: Q27280280
• Mol file: 42142-52-9.mol

Synonyms:42142-52-9;3-(methylamino)-1-phenylpropan-1-ol;3-HYDROXY-N-METHYL-3-PHENYL-PROPYLAMINE;alpha-[2-(Methylamino)ethyl]benzyl alcohol;3-Hydroxy-N-methyl-3-phenylpropylamine;3-METHYLAMINO-1-PHENYLPROPANOL;EINECS 255-679-8;3-(methylamino)-1-phenyl-1-propanol;UNII-I28ND993BO;I28ND993BO;MFCD00674078;alpha-(2-(Methylamino)ethyl)benzyl alcohol;(1RS)-3-(Methylamino)-1-phenylpropan-1-ol;EC 255-679-8;alpha-[2-(methylamino)ethyl]benzenemethanol;3-Methylamino-1-phenyl-propan-1-ol;3-(Methylamino)-1-phenyl-propan-1-ol;N-methyl-3-hydroxy-3-phenyl propylamine;N-Methyl-3-hydroxy-3-phenyl-propylamine;3-METHYLAMINO-1-PHENYL-1-PROPANOL;Fluoxetine impurity A CRS;SCHEMBL526622;3-Methylamino-1-phenyl-propanol;DTXSID40866081;3-(Methylamino)-1-phenylpropanol;XXSDCGNHLFVSET-UHFFFAOYSA-N;BBL103097;STL556907;N-methyl-3phenyl-3-hydroxypropylamine;1-Phenyl-3-(methylamino)-1-propanol;AKOS005216445;AKOS016842442;gamma-hydroxy-N-methylphenylpropylamine;-[2-(Methylamino)ethyl]benzenemethanol;AB06932;AC-1834;CS-T-33070;N-methyl-3-hydroxy-3-phenylpropylamine;SB76266;SB76272;(+)-Methylamino-1-phenyl-propan-1-ol;?-[2-(Methylamino)ethyl]benzyl Alcohol;1-phenyl-3-(N-methylamino)propan-1-ol;3-Hydroxy-n-methyl-3-phenyl propylamine;N-methyl-3-phenyl-3-hydroxypropyl-amine;|A-[2-(Methylamino)ethyl]benzenemethanol;1-phenyl-3-(n-methylamino)-propan-1-ol;AS-15329;N-methyl-3-phenyl-3-hydroxy propyl amine;N-methyl-3-phenyl-3-hydroxy-propyl-amine;SY050893;A6890;alpha -[2-(Methylamino)ethyl]benzyl alcohol;CS-0010500;FT-0639765;FT-0771123;FT-0773467;M1960;EN300-61855;(+/-)-n-methyl-3-hydroxy-3-phenylpropylamine;Benzenemethanol, alpha-(2-(methylamino)ethyl)-;F17750;N-METHYL-3-PHENYL-3-HYDROXYPROPYLAMINE;alpha-[2-(Methylamino)ethyl]benzyl alcohol, 97%;W-106283;Q27280280;Z972827406;ATOMOXETINE HYDROCHLORIDE IMPURITY H [ EP IMPURITY];BENZENEMETHANOL, .ALPHA.-(2-(METHYLAMINO)ETHYL)-

Chemical Property of 3-Hydroxy-N-methyl-3-phenyl-propylamine

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.00126mmHg at 25°C
• Melting Point: 64 °C
• Boiling Point: 286.1 °C at 760 mmHg
• PKA: 14.24±0.20(Predicted)
• Flash Point: 114.8 °C
• PSA: 32.26000
• Density: 1.017 g/cm³
• LogP: 1.72040
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Soluble), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

α-[2-(Methylamino)ethyl]benzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC(C1=CC=CC=C1)O
• Uses: 3-Hydroxy-N-methyl-3-phenyl-propylamine is an aromatic amino alcohol used as an initiator in radical addition reactions with tetrahalomethanes. α-[2-(Methylamino)ethyl]benzyl Alcohol (Fluoxetine EP Impurity A(Atomoxetine Related Compound A)) is an aromatic amino alcohol used as an initiator in radical addition reactions with tetrahalomethanes.This compound is found as an impurity in fluoxetine (F597100).

Technology Process of 3-Hydroxy-N-methyl-3-phenyl-propylamine

There total 23 articles about 3-Hydroxy-N-methyl-3-phenyl-propylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

3-(benzyl-methyl-amino)-1-phenylpropan-1-one (21970-65-0) → 3-methylamino-1-phenylpropan-1-ol (42142-52-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 144h; under 3750.3 Torr;

DOI:10.1055/s-2003-40508

Reference yield: 90.0%

β-Methylaminoethyl phenyl ketone hydrochloride (2538-50-3) → 3-methylamino-1-phenylpropan-1-ol (42142-52-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1h;

Reference yield: 90.0%

3-(N-benzyl-N-methylamino)-1-phenyl-propan-1-ol (74681-55-3) → 3-methylamino-1-phenylpropan-1-ol (42142-52-9)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 60 ℃; for 16h; under 760.051 Torr;

DOI:10.1021/acscatal.1c01199

upstream raw materials:

3-chloro-1-phenyl-propan-1-ol

methylamine

3-(N-methylamino)propiophenone

3-(benzyl-methyl-amino)-1-phenylpropan-1-one

Downstream raw materials:

N-<3-Phenyl-propin-(2)-yl>-N-<3-hydroxy-3-phenyl-propyl>-methylamin

benzaldehyde

benzoyl chloride

acetophenone

Refernces

• 1、 -. "Systems and methods for synthesizing chemical products, including active pharmaceutical ingredients". . . Retrieved 2020/12/14.
• 2、 -. "R-(-)-atomoxetine hydrochloride preparation method". Paragraph 0087-0088; 0093-0094; 0099-0100. . Retrieved 2019/09/14.