LY 272015 Hydrochloride

Base Information

• Chemical Name: LY 272015 Hydrochloride
• CAS No.: 172895-15-7
• Molecular Formula: C₂₁H₂₄N₂O₂*ClH
• Molecular Weight: 372.895
• UNII: 5NV3JP3GP6
• DSSTox Substance ID: DTXSID30432996
• Wikipedia: LY-272,015
• Mol file: 172895-15-7.mol

Synonyms:LY 272015 HYDROCHLORIDE;172895-15-7;LY-272015 (hydrochloride);5NV3JP3GP6;LY-272015 hydrochloride;UNII-5NV3JP3GP6;LY-272,015;1H-Pyrido(3,4-b)indole, 1-((3,4-dimethoxyphenyl)methyl)-2,3,4,9-tetrahydro-6-methyl-, monohydrochloride;LY272015 hydrochloride;LY 272015 hydrochloride;1H-Pyrido(3,4-b)indole, 1-((3,4-dimethoxyphenyl)methyl)-2,3,4,9-tetrahydro-6-methyl-, hydrochloride (1:1);LY272015;1H-Pyrido[3,4-b]indole, 1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-6-methyl-, hydrochloride (1:1);SCHEMBL7828661;DTXSID30432996;HB1750;AKOS024457413;HY-100851A;LS-133503;CS-0020499;J-010860;1-[(3,4-Dimethoxyphenyl)methy]-2,3,4,9-tetrahydro-6-methyl-1H-pyrido[3,4-b]indole;1-(3,4-Dimethoxybenzyl)-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride (1:1);1-[(3,4-Dimethoxyphenyl)methy]-2,3, 4,9-tetrahydro-6-methyl-1H-pyrido[3,4-b]indole hydrochloride;1-[(3,4-Dimethoxyphenyl)methy]-2,3,4,9-tetrahydro-6-methyl-1H-pyrido[3,4-b]indole hydrochloride

Chemical Property of LY 272015 Hydrochloride

Chemical Property:

• PSA: 46.28000
• LogP: 5.05380
• Storage Temp.: Store at +4°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 372.1604557
• Heavy Atom Count: 26
• Complexity: 446

Purity/Quality:

98% ^*data from raw suppliers

LY272015Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC.Cl
• Uses: LY 272015 Hydrochloride is a potent and selective serotonin 2B (5HT2B) contractile receptor.

Technology Process of LY 272015 Hydrochloride

There total 3 articles about LY 272015 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: 31.0%

(Z)-4-(3,4-dimethoxybenzylidene)-2-methyl-5(4H)-oxazolone (38879-47-9,41888-65-7) + 2-(1,5-Dimethyl-1H-indol-3-yl)-ethylamine → LY 272015 (172895-15-7)

Guidance literature:

In hydrogenchloride; for 36h; Heating;

DOI:10.1021/jo9600868

Reference yield:

3,4-dimethoxy-benzaldehyde (120-14-9) → LY 272015 (172895-15-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOAc / acetic anhydride / Heating

2: 31 percent / aq. HCl / 36 h / Heating

With sodium acetate; In hydrogenchloride; acetic anhydride;

DOI:10.1021/jo9600868

Reference yield:

(Z)-4-(3,4-dimethoxybenzylidene)-2-methyl-5(4H)-oxazolone (38879-47-9,41888-65-7) + 5-methyltryptamine hydrochloride (1010-95-3) → LY 272015 (172895-15-7)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jm960062t

upstream raw materials:

(Z)-4-(3,4-dimethoxybenzylidene)-2-methyl-5(4H)-oxazolone

5-methyltryptamine hydrochloride

3,4-dimethoxy-benzaldehyde

Refernces

• 1、 Audia, James E.,Evrard, Deborah A.,Murdoch, Gwyn R.,Droste, James J.,Nissen, Jeffrey S.,Schenck, Kathy W.,Fludzinski, Pawel,Lucaites, Virginia L.,Nelson, David L.,Cohen, Marlene L.. "Potent, selective tetrahydro-β-carboline antagonists of the serotonin 2B (5HT(2B)) contractile receptor in the rat stomach fundus". . p. 2773 - 2780. Retrieved 2007/10/03.