Davasaicin hydrochloride

Base Information

• Chemical Name: Davasaicin hydrochloride
• CAS No.: 174661-97-3
• Molecular Formula: C22H31ClN2O3
• Molecular Weight: 406.9461
• UNII: 51V6N8BA2P
• DSSTox Substance ID: DTXSID40169887
• Wikidata: Q27260923

Synonyms:DA 5018;DA-5018;N-(3-(3,4-dimethylphenyl)propyl)-4-(2-aminoethoxy)-3-methoxyphenyl acetamide

Chemical Property of Davasaicin hydrochloride

Chemical Property:

• Vapor Pressure: 4.16E-14mmHg at 25°C
• Boiling Point: 594.6°C at 760 mmHg
• Flash Point: 313.4°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 406.2023205
• Heavy Atom Count: 28
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)CCCNC(=O)CC2=CC(=C(C=C2)OCCN)OC)C.Cl

Technology Process of Davasaicin hydrochloride

There total 3 articles about Davasaicin 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:

N-[3-(3,4-dimethylphenyl)propyl]-2-(4-(2-t-butoxycarbonylaminoethyl)-3-methoxy)phenylacetamide → Davasaicin (174661-97-3)

Guidance literature:

With hydrogenchloride; In diethyl ether; ethyl acetate; at 20 ℃; Product distribution / selectivity;

Reference yield:

DA-5018 (147497-64-1) → Davasaicin (174661-97-3)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; Purification / work up;

Reference yield:

2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide methanesulfonate → Davasaicin (174661-97-3)

Guidance literature:

2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide methanesulfonate; With hydrogenchloride; In 1-methyl-pyrrolidin-2-one; water;

In ethanol; Isopropyl acetate; Purification / work up;

upstream raw materials:

DA-5018

Downstream raw materials:

DA-5018

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