Motretinide

Base Information

• Chemical Name: Motretinide
• CAS No.: 56281-36-8
• Molecular Formula: C23H31 N O2
• Molecular Weight: 353.505
• European Community (EC) Number: 260-094-6
• NSC Number: 351523
• UNII: W786807KL1
• DSSTox Substance ID: DTXSID30878633
• Nikkaji Number: J14.532G,J3.020.232E
• Wikipedia: Motretinide
• Wikidata: Q904009
• NCI Thesaurus Code: C90940
• Metabolomics Workbench ID: 154184
• ChEMBL ID: CHEMBL519260
• Mol file: 56281-36-8.mol

Synonyms:motretinide;Ro 11-1430;Ro 11-1430, (all-E)-isomer;Tasmaderm;TMMP ethyl ester;TMMP-ERA;trimethylmethoxyphenyl-N-ethyl retinamide

Chemical Property of Motretinide

Chemical Property:

• Vapor Pressure: 1.38E-12mmHg at 25°C
• Melting Point: 179-180°
• Boiling Point: 560.3°Cat760mmHg
• Flash Point: 292.7°C
• PSA: 38.33000
• Density: 0.996g/cm³
• LogP: 5.60940
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 353.235479232
• Heavy Atom Count: 26
• Complexity: 571

Purity/Quality:

99% ^*data from raw suppliers

MOTRETINIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C
• Isomeric SMILES: CCNC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)OC)C)C
• Therapeutic Function: Antipsoriatic

Technology Process of Motretinide

There total 1 articles about Motretinide 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:

→ 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid ethylamide (56281-36-8,54757-59-4)

Guidance literature:

entspr. Saeure, 1.) PCl3, 2.) Ethylamin;

Reference yield: 15.0%

9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid ethylamide (56281-36-8,54757-59-4) → N,N-diethyl-6α-<(all-E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl>-5α-<(all-E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl>-3,6-dimethyl-3-cyclohexene-1β,2α-dicarboxamide (120591-52-8,120708-04-5) + N,N-diethyl-6α-<(all-E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl>-5β-<(all-E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl>-3,6-dimethyl-3-cyclohexene-1β,2α-dicarboxamide (120591-52-8,120708-04-5)

Guidance literature:

With 13,17-bis(2-carboxylatoethyl)-3,8-bis[1-hydroxyethyl]-2,7,12,18-tetramethylporphine; In ethanol; at 20 - 23 ℃; for 6h; Irradiation;

DOI:10.1016/S0040-4020(01)85884-1

Downstream raw materials:

N,N-diethyl-6α-<(all-E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl>-5α-<(all-E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl>-3,6-dimethyl-3-cyclohexene-1β,2α-dicarboxamide

N,N-diethyl-6α-<(all-E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl>-5β-<(all-E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl>-3,6-dimethyl-3-cyclohexene-1β,2α-dicarboxamide