Nafenopin

Base Information

• Chemical Name: Nafenopin
• CAS No.: 3771-19-5
• Molecular Formula: C20H22 O3
• Molecular Weight: 310.42
• Hs Code.: 2918990090
• UNII: 093W78U96W
• DSSTox Substance ID: DTXSID8020911
• Nikkaji Number: J8.248A
• Wikipedia: Nafenopin
• Wikidata: Q6958167
• NCI Thesaurus Code: C175154
• Metabolomics Workbench ID: 144277
• ChEMBL ID: CHEMBL1909070
• Mol file: 3771-19-5.mol

Synonyms:Acid, Nafenoic;CH 13437;CH-13437;CH13437;Melipan;Nafenoic Acid;Nafenopin;SU 13,437;SU-13,437;SU13,437

Chemical Property of Nafenopin

Chemical Property:

• Vapor Pressure: 1.69E-09mmHg at 25°C
• Refractive Index: 1.4618 (estimate)
• Boiling Point: 466.4°Cat760mmHg
• Flash Point: 164.4°C
• PSA: 46.53000
• Density: 1.155g/cm³
• LogP: 4.39680
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 310.15689456
• Heavy Atom Count: 23
• Complexity: 409

Purity/Quality:

95-99% ^*data from raw suppliers

2-Methyl-2-(4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy)propanoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23

Technology Process of Nafenopin

There total 4 articles about Nafenopin 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: 76.0%

tert-butyl bromoisobutyrate (23877-12-5) + 4-(1,2,3,4-tetrahydro-1-naphthyl)-phenol (3771-17-3) → nafenopin (3771-19-5)

Guidance literature:

tert-butyl bromoisobutyrate; 4-(1,2,3,4-tetrahydro-1-naphthyl)-phenol; With magnesium sulfate; potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Sealed tube;

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 1h; Sealed tube;

DOI:10.1021/acs.orglett.8b01495

Reference yield:

1,2,3,4-Tetrahydro-1-naphthol (529-33-9) → nafenopin (3771-19-5)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / hexane

2: NaOH

With sodium hydroxide; aluminium trichloride; In hexane;

DOI:10.1016/S0040-4020(01)98751-4

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → nafenopin (3771-19-5)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / hexane

2: NaOH

With sodium hydroxide; aluminium trichloride; In hexane;

DOI:10.1016/S0040-4020(01)98751-4

upstream raw materials:

chloroform

4-(1,2,3,4-tetrahydro-1-naphthyl)-phenol

acetone

1,2,3,4-Tetrahydro-1-naphthol

Downstream raw materials:

nafenopin coenzym A

Refernces