N-methyl-3-phenylpropan-1-amine

Base Information

• Chemical Name: N-methyl-3-phenylpropan-1-amine
• CAS No.: 23580-89-4
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 2921490002
• European Community (EC) Number: 808-830-2
• UNII: PM142C9WRQ
• DSSTox Substance ID: DTXSID90275301
• Nikkaji Number: J259.628H
• Wikidata: Q72495176
• ChEMBL ID: CHEMBL301755
• Mol file: 23580-89-4.mol

Synonyms:23580-89-4;N-methyl-3-phenylpropan-1-amine;(3-Phenylpropyl)methylamine;Methyl-(3-phenyl-propyl)-amine;N-Methyl-3-phenylpropylamine;methyl(3-phenylpropyl)amine;BENZENEPROPANAMINE, N-METHYL-;N-methyl-N-(3-phenylpropyl)amine;N-Methylbenzenepropanamine;PM142C9WRQ;n-methyl-3-phenyl-propan-1-amine;MLS000529568;SMR000122043;UNII-PM142C9WRQ;SCHEMBL21677;N-Methylbenzenepropan-1-amine;CHEMBL301755;BDBM32703;cid_9549628;Methyl(phenylpropyl)amine [USP];DTXSID90275301;(3-phenylpropan-1-yl)methylamine;MLHBZVFOTDJTPK-UHFFFAOYSA-N;N-METHYL-BENZENEPROPANAMINE;HMS1695L10;1-(N-methylamino)-3-phenylpropane;AR1442;MFCD02089405;AKOS000156252;AB10671;PS-3586;(3-phenylpropyl)methylamine, AldrichCPR;Fluoxetine hydrochloride impurity B [EP];hydrochloride;NCGC00245431-01;BP-11151;FT-0638335;FT-0672052;EN300-40932;N-methyl-3-phenyl-1-propanamine;N-methyl-3-phenyl-propan-1-amine;METHYL(PHENYLPROPYL)AMINE [USP IMPURITY];A878205;J-015154;F2167-1305;FLUOXETINE HYDROCHLORIDE IMPURITY B [EP IMPURITY];Z102767020

Chemical Property of N-methyl-3-phenylpropan-1-amine

Chemical Property:

• Vapor Pressure: 0.0779mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 227.4 °C at 760 mmHg
• PKA: 10.60±0.10(Predicted)
• Flash Point: 97.9 °C
• PSA: 12.03000
• Density: 0.909 g/cm³
• LogP: 2.22950
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 84.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Methyl-3-phenylpropylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCCC1=CC=CC=C1
• Uses: Fluoxetine (F597100) impurity. N-Methyl-3-phenylpropylamine (Fluoxetine EP Impurity B; Fluoxetine USP Related Compound B) is a Fluoxetine (F597100) impurity.

Technology Process of N-methyl-3-phenylpropan-1-amine

There total 58 articles about N-methyl-3-phenylpropan-1-amine 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: 100.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + eschenmoser's salt (33797-51-2) → methyl-(3-phenyl-propyl)-amine (23580-89-4)

Guidance literature:

at 0 - 75 ℃; for 2h; Inert atmosphere; Sealed tube; Darkness;

Reference yield: 90.0%

N-methyl-3-phenylpropanamide (940-43-2) → methyl-(3-phenyl-propyl)-amine (23580-89-4)

Guidance literature:

With borane-ammonia complex; boron trifluoride diethyl etherate; tris(pentafluorophenyl)borate; In 1,2-dichloro-ethane; at 60 ℃; for 24h;

DOI:10.1002/adsc.201801447

Reference yield: 86.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + bis-(dimethylamino)methane (51-80-9) → methyl-(3-phenyl-propyl)-amine (23580-89-4)

Guidance literature:

With trifluoroacetic acid; at 0 - 75 ℃; Reagent/catalyst; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201906910

upstream raw materials:

styrene

bis-(dimethylamino)methane

1-methyl-4-phenyl-1-azabutadiene

[3-(3-chloro-phenyl)-propyl]-methyl-amine

Downstream raw materials:

Methyl-[2-(2-{2-[methyl-(3-phenyl-propyl)-amino]-ethoxy}-ethoxy)-ethyl]-(3-phenyl-propyl)-amine

2-benzyl-2-propenal

bis-(3-phenyl-propyl)-amine

C₂₈H₃₅N₃O₂

Refernces

• 1、 -. "PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION USING IMINIUM REACTANTS". Page/Page column 29-30. . Retrieved 2020/05/14.
• 2、 Kaiser, Daniel,Tona, Veronica,Gon?alves, Carlos R.,Shaaban, Saad,Oppedisano, Alberto,Maulide, Nuno. "A General Acid-Mediated Hydroaminomethylation of Unactivated Alkenes and Alkynes". supporting information. p. 14639 - 14643. Retrieved 2019/09/17.