Nylidrin hydrochloride

Base Information

• Chemical Name: Nylidrin hydrochloride
• CAS No.: 849-55-8
• Molecular Formula: C19H25NO2.ClH
• Molecular Weight: 335.874
• European Community (EC) Number: 212-701-0
• NSC Number: 757252,142004
• UNII: EC69E3PW7E
• DSSTox Substance ID: DTXSID20957360
• Wikidata: Q9668243
• NCI Thesaurus Code: C81645
• ChEMBL ID: CHEMBL1204337
• Mol file: 849-55-8.mol

Synonyms:Arlidin;Bufenine;Buphenin;Buphenine;Dilatol;Hydrochloride, Nylidrin;Nylidrin;Nylidrin Hydrochloride

Chemical Property of Nylidrin hydrochloride

Chemical Property:

• Melting Point: 198-199℃ (decomposition)
• PSA: 52.49000
• LogP: 4.61790
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 335.1652068
• Heavy Atom Count: 23
• Complexity: 296

Purity/Quality:

99%, ^*data from raw suppliers

BupheninHCl(MixtureofDiastereomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
• Uses: Medicine (treatment of heart disease).

Technology Process of Nylidrin hydrochloride

There total 3 articles about Nylidrin hydrochloride 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: 95.0%

C26H29NO2*ClH (96072-82-1) → nylidrin hydrochloride (849-55-8,900-01-6)

Guidance literature:

With 3% Pd/C; hydrogen; In methanol; at 20 ℃;

Reference yield:

1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone (35081-45-9) + (RS)-1-methyl-3-phenylpropylamine (22374-89-6,22148-77-2,1199266-89-1) → nylidrin hydrochloride (849-55-8,900-01-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / ethyl acetate / 5 h / Reflux

2: 3% Pd/C; hydrogen / methanol / 20 °C

With 3% Pd/C; hydrogen; triethylamine; In methanol; ethyl acetate;

Reference yield:

→ (+/-)-alloerythro-1-(4-Hydroxy-phenyl)-2-<(4-phenyl-butyl-(2)-amino>-propanol-(1)-hydrochlorid (849-55-8,900-01-6)

Guidance literature:

(+-)-alloerythro-4-Benzyloxy-2-(1-methyl-3-phenyl-propylamino)-propiophenon-hydrochlorid, wss. A., wss.Salzsaeure, H2, Palladium;

upstream raw materials:

1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone

(RS)-1-methyl-3-phenylpropylamine

C₂₆H₂₉NO₂*ClH

Refernces