Viaminate

Base Information

• Chemical Name: Viaminate
• CAS No.: 53839-71-7
• Molecular Formula: C29H37NO3
• Molecular Weight: 447.618
• UNII: UE38REE8GQ
• DSSTox Substance ID: DTXSID301318689
• Nikkaji Number: J516.998D
• Mol file: 53839-71-7.mol

Synonyms:4-(carboethoxyphenyl)retinamide;4-(ethoxycarbophenyl)retinamide;N-(4-ethoxycarbophenyl)retinamide;retinamide ethyl benzoate

Chemical Property of Viaminate

Chemical Property:

• Boiling Point: 619.362 °C at 760 mmHg
• PKA: 12.49±0.70(Predicted)
• Flash Point: 328.379 °C
• PSA: 55.40000
• Density: 1.071 g/cm³
• LogP: 7.40640
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 447.27734404
• Heavy Atom Count: 33
• Complexity: 846

Purity/Quality:

99% ^*data from raw suppliers

Viaminate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C
• Isomeric SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C
• Uses: Viaminate is a pharmaceutical used to treat severe acne and other keratinization disorders. Viaminate can be taken orally, or topically in prepared gels and creams.

Technology Process of Viaminate

There total 2 articles about Viaminate 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: 88.2%

retinoyl chloride (53839-60-4) + p-aminoethylbenzoate (94-09-7) → viaminate (53839-71-7)

Guidance literature:

With dmap; In N,N-dimethyl-formamide; at 5 - 20 ℃; for 5h; Solvent; Reagent/catalyst; Temperature; Industrial scale;

Reference yield:

→ viaminate (53839-71-7)

Guidance literature:

Entspr. Carbonylchlorid, p-Aminobenzoesaeureethylester;

upstream raw materials:

retinoyl chloride

p-aminoethylbenzoate

Refernces