Fenharmane

Base Information

• Chemical Name: Fenharmane
• CAS No.: 3851-30-7
• Molecular Formula: C₁₈H₁₈N₂
• Molecular Weight: 262.354
• NSC Number: 172131
• UNII: 9E96TNX6EZ
• DSSTox Substance ID: DTXSID101043296
• Nikkaji Number: J8.266J
• Wikidata: Q27272441
• NCI Thesaurus Code: C65650
• ChEMBL ID: CHEMBL323357
• Mol file: 3851-30-7.mol

Synonyms:Fenharmane;Fenharmane [INN];Phenoharmane;Fenoharman;Benzyltetrahydronorharman;3851-30-7;Fenharmanum;1-Benzyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;UNII-9E96TNX6EZ;NSC 172131;NSC-172131;1-Benzyl-1,2,3,4-tetrahydronorharman;BRN 0215046;9E96TNX6EZ;1-Benzyl-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole;5-23-09-00319 (Beilstein Handbook Reference);1H-Pyrido(3,4-b)indole, 1-benzyl-2,3,4,9-tetrahydro-;1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-1-(phenylmethyl)-;1H-Pyrido[3,4-b]indole, 1-benzyl-2,3,4,9-tetrahydro-;1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(phenylmethyl)-;NCIOpen2_004512;CHEMBL323357;SCHEMBL9695673;1-Benzyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole;DTXSID101043296;1-Benzyl-1,3,4-tetrahydronorharman;NSC172131;STK661448;AKOS002228540;AKOS016300552;1-benzyl-1,2,3,4-tetrahydro-b-carboline;LS-133422;EU-0003132;1H-Pyrido[3, 1-benzyl-2,3,4,9-tetrahydro-;1-benzyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole;1-Benzyl-2,3,4,9-tetrahydro-1H-beta-carboline;EN300-24398839;SR-01000107694;SR-01000107694-1;1H-.beta.-Carboline, 1-benzyl-2,3,4,9-tetrahydro-;Q27272441;1H-Pyrido[3, 2,3,4,9-tetrahydro-1-(phenylmethyl)-

Chemical Property of Fenharmane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 466.826°C at 760 mmHg
• Flash Point: 236.128°C
• PSA: 27.82000
• Density: 1.205g/cm³
• LogP: 3.92620
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 262.146998583
• Heavy Atom Count: 20
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(C2=C1C3=CC=CC=C3N2)CC4=CC=CC=C4

Technology Process of Fenharmane

There total 17 articles about Fenharmane 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: 98.0%

1-benzyl-4,9-dihydro-3H-pyrido-[3,4-b]indole (10022-80-7) → 1-benzyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (3851-30-7,99545-51-4,122088-15-7)

Guidance literature:

With sodium tetrahydroborate; at 20 ℃; for 12h;

DOI:10.1111/j.1747-0285.2012.01317.x

Reference yield: 80.0%

tryptamine (61-54-1) + 2-benzyl-3,4,4-trimethyl-1-(toluene-4-sulfonyl)-imidazolidine (73955-63-2) → 1-benzyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (3851-30-7,99545-51-4,122088-15-7)

Guidance literature:

With trifluoroacetic acid; In acetonitrile; for 3h; Heating;

DOI:10.1016/S0040-4020(01)90904-4

Reference yield: 65.0%

tryptamine (61-54-1) + 3,4,4-trimethyl-2-benzyloxazolidine → 1-benzyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (3851-30-7,99545-51-4,122088-15-7)

Guidance literature:

With hydrogenchloride; In acetonitrile; for 0.2h; Ambient temperature;

upstream raw materials:

1-benzyl-4,9-dihydro-3H-pyrido-[3,4-b]indole

tryptamine hydochloride

phenylacetaldehyde

tryptamine

Downstream raw materials:

1-benzyl-2-ethyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole

1-benzyl-β-carboline