(Z)-3-amino-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-2-methylbut-2-en-1-one

Base Information

• Chemical Name: (Z)-3-amino-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-2-methylbut-2-en-1-one
• CAS No.: 92541-05-4
• Molecular Formula: C20H23NO4
• Molecular Weight: 341.4009
• NSC Number: 349959
• DSSTox Substance ID: DTXSID10421883
• Wikidata: Q82233606

Synonyms:NSC349959;92541-05-4;DTXSID10421883;NSC-349959

Chemical Property of (Z)-3-amino-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-2-methylbut-2-en-1-one

Chemical Property:

• Vapor Pressure: 1.52E-10mmHg at 25°C
• Boiling Point: 510.7°C at 760 mmHg
• Flash Point: 198°C
• Density: 1.137g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 341.16270821
• Heavy Atom Count: 25
• Complexity: 470

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C(C)N)C(=O)C1=C(C(=C(C=C1)OC)OC)OCC2=CC=CC=C2
• Isomeric SMILES: C/C(=C(\C)/N)/C(=O)C1=C(C(=C(C=C1)OC)OC)OCC2=CC=CC=C2

Technology Process of (Z)-3-amino-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-2-methylbut-2-en-1-one

There total 1 articles about (Z)-3-amino-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-2-methylbut-2-en-1-one 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:

→ (Z)-3-Amino-1-(2-benzyloxy-3,4-dimethoxy-phenyl)-2-methyl-but-2-en-1-one (92541-05-4)

Guidance literature:

α.γ-Diketon 6, NH3, A.;

DOI:10.1002/jhet.5570130627

Reference yield: 97.0%

(Z)-3-Amino-1-(2-benzyloxy-3,4-dimethoxy-phenyl)-2-methyl-but-2-en-1-one (92541-05-4) + acetoacetic acid methyl ester (105-45-3) → 3-Acetyl-4-(2-benzyloxy-3,4-dimethoxy-phenyl)-5,6-dimethyl-1H-pyridin-2-one (77405-64-2)

Guidance literature:

In xylene; for 14h; Heating;

DOI:10.1021/ja00395a071

Reference yield: 54.0%

(Z)-3-Amino-1-(2-benzyloxy-3,4-dimethoxy-phenyl)-2-methyl-but-2-en-1-one (92541-05-4) + 5-methyltetronic acid (5457-19-2) → 2-(2-Benzyloxy-3,4-dimethoxy-phenyl)-3,4,7-trimethyl-7H-furo[3,4-b]pyridin-5-one (92541-06-5)

Guidance literature:

In neat (no solvent); melting at 140 deg C then 3 hr at 120 deg C;

DOI:10.1016/S0040-4039(01)81195-3

Downstream raw materials:

2-(2-Benzyloxy-3,4-dimethoxy-phenyl)-3,4,7-trimethyl-7H-furo[3,4-b]pyridin-5-one

3-Acetyl-4-(2-benzyloxy-3,4-dimethoxy-phenyl)-5,6-dimethyl-1H-pyridin-2-one

methyl 5-amino-4-<2-(benzyloxy)-3,4-dimethoxyphenyl>-6-(6-methoxy-5-nitro-2-quinolyl)-3-methylpyridine-2-carboxylate

4-(2-Benzyloxy-3,4-dimethoxy-phenyl)-2-chloro-5,6-dimethyl-3-vinyl-pyridine

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