Dimefline hydrochloride

Base Information

• Chemical Name: Dimefline hydrochloride
• CAS No.: 2740-04-7
• Molecular Formula: C20H21NO3•ClH
• Molecular Weight: 359.88
• European Community (EC) Number: 220-366-7
• NSC Number: 114650
• UNII: H0XB4R74ID
• DSSTox Substance ID: DTXSID1046841
• Wikidata: Q27114327
• NCI Thesaurus Code: C65397
• Metabolomics Workbench ID: 69914
• ChEMBL ID: CHEMBL1203969
• Mol file: 2740-04-7.mol

Synonyms:dimefline;dimefline hydrochloride

Chemical Property of Dimefline hydrochloride

Chemical Property:

• Vapor Pressure: 7.81E-09mmHg at 25°C
• Boiling Point: 465.3oC at 760 mmHg
• Flash Point: 235.2oC
• PSA: 42.68000
• LogP: 4.64060
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 359.1288213
• Heavy Atom Count: 25
• Complexity: 493

Purity/Quality:

99% ^*data from raw suppliers

DimeflineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C3=CC=CC=C3.Cl

Technology Process of Dimefline hydrochloride

There total 4 articles about Dimefline 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: 93.8%

Dimefline (1165-48-6) → dimefline hydrochloride (2740-04-7)

Guidance literature:

With hydrogenchloride; In ethanol; at 30 - 45 ℃;

Reference yield:

2-hydroxy-4-methoxypropiophenone (6270-44-6) → dimefline hydrochloride (2740-04-7)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium benzoate / 160 - 170 °C

2: acetic acid; hydrogenchloride / 75 - 85 °C

3: water / 40 - 48 °C

4: hydrogenchloride / ethanol / 30 - 45 °C

With hydrogenchloride; sodium benzoate; acetic acid; In ethanol; water;

Reference yield:

benzoyl chloride (98-88-4) → dimefline hydrochloride (2740-04-7)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium benzoate / 160 - 170 °C

2: acetic acid; hydrogenchloride / 75 - 85 °C

3: water / 40 - 48 °C

4: hydrogenchloride / ethanol / 30 - 45 °C

With hydrogenchloride; sodium benzoate; acetic acid; In ethanol; water;

upstream raw materials:

Dimefline

2-hydroxy-4-methoxypropiophenone

benzoyl chloride

3-methyl-7-methoxy-2-phenyl-4H-benzopyran-4-one

Refernces