Benanserin hydrochloride

Base Information

• Chemical Name: Benanserin hydrochloride
• CAS No.: 525-02-0
• Molecular Formula: C19H22N2O•ClH
• Molecular Weight: 330.857
• NSC Number: 17384
• UNII: 86Q50C824Z
• DSSTox Substance ID: DTXSID30200495
• Wikidata: Q27269757
• NCI Thesaurus Code: C79720
• ChEMBL ID: CHEMBL1731319
• Mol file: 525-02-0.mol

Synonyms:Benanserin hydrochloride;Benzyl antiserotonin;Benanserin HCl;525-02-0;1-Benzyl-2,5-dimethylserotonin hydrochloride;NSC 17384;NSC-17384;1-Benzyl-2-methyl-5-methoxytryptamine hydrochloride;BAS;UNII-86Q50C824Z;1-Benzyl-2-methyl-3-(2-aminoethyl)-5-methoxyindole hydrochloride;3-(2-Aminoethyl)-1-benzyl-5-methoxy-2-methylindole hydrochloride;86Q50C824Z;Benzyl-1 methyl-2 methoxy-5 tryptamine chlorhydrate [French];5-Methoxy-2-methyl-1-(phenylmethyl)-1H-indole-3-ethanamide monohydrochloride;Benzyl-1 methyl-2 methoxy-5 tryptamine chlorhydrate;1H-Indole-3-ethanamine, 5-methoxy-2-methyl-1-(phenylmethyl)-, monohydrochloride;INDOLE, 3-(2-AMINOETHYL)-1-BENZYL-5-METHOXY-2-METHYL-, MONOHYDROCHLORIDE;Cambridge id 5107562;SCHEMBL1801669;CHEMBL1731319;DTXSID30200495;NSC17384;AKOS040747941;LS-82272;WLN: T56 BNJ B1R& C1 D2Z GO1 &GH;SR-01000195471;SR-01000195471-1;Q27269757;2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine;hydrochloride

Chemical Property of Benanserin hydrochloride

Chemical Property:

• Vapor Pressure: 6.31E-10mmHg at 25°C
• Boiling Point: 494.7°Cat760mmHg
• Flash Point: 253°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 330.1498911
• Heavy Atom Count: 23
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CCN.Cl

Technology Process of Benanserin hydrochloride

There total 1 articles about Benanserin 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: 65.0%

2-(2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)ethyl)isoindoline-1,3-dione (96068-70-1) → BAS (525-02-0)

Guidance literature:

2-(2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)ethyl)isoindoline-1,3-dione; With hydrazine hydrate; In ethanol; at 90 ℃; for 24h; Reflux;

With hydrogenchloride; In ethanol;

DOI:10.1021/acs.jmedchem.5b01482

Reference yield:

BAS (525-02-0) → 3-(2-amino-ethyl)-1-benzyl-2-methyl-indol-5-ol (3570-31-8)

Guidance literature:

With pyridine hydrochloride; at 200 ℃;

upstream raw materials:

2-(2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)ethyl)isoindoline-1,3-dione

Downstream raw materials:

3-(2-amino-ethyl)-1-benzyl-2-methyl-indol-5-ol

Refernces