N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine

Base Information

Chemical Name:N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine
CAS No.:133845-63-3
Molecular Formula:C₁₉H₁₈N₂O
Molecular Weight:290.365
Hs Code.:
European Community (EC) Number:802-858-9
Nikkaji Number:J957.246E
Pharos Ligand ID:91CG4489AW5L
ChEMBL ID:CHEMBL45069
Mol file:133845-63-3.mol

Synonyms:N-(2-propinyl)-2-(5-benzyloxyindol)methylamine;N-(2-propynyl)-2-(5-benzyloxy-indolyl) methylamine;PF 9601N;PF-9601N;PF9601N

Suppliers and Price of N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
PF9601N ≥98% (HPLC)
25mg
$ 403.00

Sigma-Aldrich
PF9601N ≥98% (HPLC)
5mg
$ 99.90

DC Chemicals
PF9601N
100 mg
$ 500.00

DC Chemicals
PF9601N
1g
$ 1800.00

DC Chemicals
PF9601N
250 mg
$ 900.00

AK Scientific
PF9601N
100mg
$ 850.00

Total 13 raw suppliers

Chemical Property of N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine

Chemical Property:

Boiling Point:511.1±45.0 °C(Predicted)
PKA:16.89±0.30(Predicted)
Density:1.185±0.06 g/cm3(Predicted)
Storage Temp.:2-8°C
Solubility.:DMSO: soluble10mg/mL, clear
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:290.141913202
Heavy Atom Count:22
Complexity:382

Purity/Quality:

97% ^*data from raw suppliers

PF9601N ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:

Useful:

Canonical SMILES:C#CCNCC1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
Uses PF9601N is a potent and selective MAO-B inhibitor in treatment of Parkinson''s disease.

Technology Process of N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine

There total 3 articles about N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-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:

: 21778-79-0
(5-(benzyloxy)-1H-indol-2-yl)methanol

: 133845-63-3
N-((5-(benzyloxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / MnO₂, NaCl / tetrahydrofuran / 90 h / Ambient temperature

2: 1.) molecular sieves 4A, 2.) NaBH₄ / 1.) THF, RT, 24 h, 2.) MeOH, RT, 30 min

With manganese(IV) oxide; sodium tetrahydroborate; 4 A molecular sieve; sodium chloride; In tetrahydrofuran;
DOI:10.1002/jhet.5570350236

Reference yield:

: 37033-95-7
5-benzyloxy-1H-indole-2-carboxylic acid ethyl ester

: 133845-63-3
N-((5-(benzyloxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / LiAlH₄ / tetrahydrofuran / 4 h / Heating

2: 93 percent / MnO₂, NaCl / tetrahydrofuran / 90 h / Ambient temperature

3: 1.) molecular sieves 4A, 2.) NaBH₄ / 1.) THF, RT, 24 h, 2.) MeOH, RT, 30 min

With manganese(IV) oxide; sodium tetrahydroborate; lithium aluminium tetrahydride; 4 A molecular sieve; sodium chloride; In tetrahydrofuran;
DOI:10.1002/jhet.5570350236

Reference yield:

: 21778-83-6
2-(5-benzyloxyindole)carboxyaldehyde

: 2450-71-7
Propargylamine

: 133845-63-3
N-((5-(benzyloxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine

Guidance literature:: With sodium tetrahydroborate; 4 A molecular sieve; Yield given. Multistep reaction; 1.) THF, RT, 24 h, 2.) MeOH, RT, 30 min;
DOI:10.1002/jhet.5570350236