CID 2736592

Base Information

• Chemical Name: CID 2736592
• CAS No.: 6027-23-2
• Molecular Formula: C10H15NO^.HCl
• Molecular Weight: 201.696
• Hs Code.: 2922199090
• Mol file: 6027-23-2.mol

Synonyms:

Chemical Property of CID 2736592

Chemical Property:

• Vapor Pressure: 0.00417mmHg at 25°C
• Melting Point: 178 °C
• Boiling Point: 270.2 °C at 760 mmHg
• Flash Point: 123.5 °C
• PSA: 23.47000
• LogP: 2.29830
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.0920418
• Heavy Atom Count: 13
• Complexity: 117

Purity/Quality:

98% ^*data from raw suppliers

Hordenine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+](C)CCC1=CC=C(C=C1)O.[Cl-]

Technology Process of CID 2736592

There total 5 articles about CID 2736592 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: 81.2%

N,N-dimethyl-p-hydroxyphenylacetamide (76472-23-6) → 2-(4-methoxyphenyl)-N,N-dimethylethylamine hydrochloride (6027-23-2)

Guidance literature:

N,N-dimethyl-p-hydroxyphenylacetamide; With sodium tetrahydroborate; boron trifluoride-tetrahydrofuran complex; In tetrahydrofuran; at 50 - 60 ℃; for 4h;

With hydrogenchloride; In tetrahydrofuran; water; Concentration; Reagent/catalyst;

Reference yield:

N,N-dimethyltyramine (539-15-1) → 2-(4-methoxyphenyl)-N,N-dimethylethylamine hydrochloride (6027-23-2)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 25 - 30 ℃; for 2h;

Reference yield:

4-(2-bromoethyl)phenol (14140-15-9) → 2-(4-methoxyphenyl)-N,N-dimethylethylamine hydrochloride (6027-23-2)

Guidance literature:

Multi-step reaction with 3 steps

1: water; ethanol / 12 h / 0 - 5 °C / Reflux

2: potassium hydroxide / ethanol / 1 h / 25 - 30 °C

3: hydrogenchloride / water; ethanol / 2 h / 25 - 30 °C

With hydrogenchloride; potassium hydroxide; In ethanol; water;

upstream raw materials:

1-[2-(dimethylamino)ethyl]-4'-methoxy-2,3-dihydro-[1,1′-biphenyl]-4(1H)-one

N,N-dimethyl-p-hydroxyphenylacetamide

4-(2-bromoethyl)phenol

N,N-dimethyltyramine

Downstream raw materials:

6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(4-(2-dimethylaminoethyl)phenoxy)propyl)picolinic acid

N,N-dimethyltyramine

Refernces

• 1、 -. "Synthetic method of hordenine hydrochloride". Paragraph 0041; 0042; 0043; 0044; 0045; 0046; 0047-0053. . Retrieved 2017/08/30.
• 2、 Neal,Sato,Johnson,McLaughlin. "Cactus alkaloids. X. Isolation of hordenine and N-methyltyramine from Ariocarpus kotschoubeyanus.". . p. 477 - 478. Retrieved 2007/11/06.