Isopropyl 2-(2-methoxynaphthalen-6-yl)propanoate

Base Information

• Chemical Name: Isopropyl 2-(2-methoxynaphthalen-6-yl)propanoate
• CAS No.: 68641-85-0
• Molecular Formula: C17H20O3
• Molecular Weight: 272.344
• UNII: V4DP9Y5DG6
• ChEMBL ID: CHEMBL1551449
• DSSTox Substance ID: DTXSID301042901
• Nikkaji Number: J588.528K
• Mol file: 68641-85-0.mol

Synonyms:68641-85-0;rac-Naproxen 2-Propyl Ester;isopropyl 2-(2-methoxynaphthalen-6-yl)propanoate;Propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate;Isopropyl 2-(6-methoxynaphthalen-2-yl)propanoate;V4DP9Y5DG6;(+/-)-Naproxen 2-propyl ester;UNII-V4DP9Y5DG6;MLS002206373;CHEMBL1551449;DTXSID301042901;HMS2200G13;HMS3352D17;SMR001295190;FT-0713219;Isopropyl 2-(6-methoxy-2-naphthyl)propanoate;1-Methylethyl 6-methoxy-alpha-methyl-2-naphthaleneacetate (aci);1-METHYLETHYL 6-METHOXY-.ALPHA.-METHYL-2-NAPHTHALENEACETATE (ACI);2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 1-methylethyl ester;2-NAPHTHALENEACETIC ACID, 6-METHOXY-.ALPHA.-METHYL-, 1-METHYLETHYL ESTER

Chemical Property of Isopropyl 2-(2-methoxynaphthalen-6-yl)propanoate

Chemical Property:

• Boiling Point: 381.2±17.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.085±0.06 g/cm3(Predicted)
• LogP: 3.90350
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 272.14124450
• Heavy Atom Count: 20
• Complexity: 326

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

rac-Naproxen 2-Propyl Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)C(C)C1=CC2=C(C=C1)C=C(C=C2)OC
• Uses: rac-Naproxen 2-Propyl Ester is an impurity of Naproxen (N377520) an non-steroidal antiinflammatory agent.

Technology Process of Isopropyl 2-(2-methoxynaphthalen-6-yl)propanoate

There total 1 articles about Isopropyl 2-(2-methoxynaphthalen-6-yl)propanoate 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: 90.0%

naproxen (23981-80-8) + isopropyl alcohol (67-63-0,8013-70-5) → (+/-)-6-methoxy-α-methyl-2-naphthaleneacetic acid isopropyl ester (68641-85-0)

Guidance literature:

sulfuric acid; magnesium sulfate; for 12h; Heating;

DOI:10.1021/ja043832w

Reference yield:

(+/-)-6-methoxy-α-methyl-2-naphthaleneacetic acid isopropyl ester (68641-85-0) → (2S)-2-(6-methoxy(2-naphthyl))propanoic acid (22204-53-1) + (S)-6-methoxy-α-methyl-2-naphthaleneacetic acid isopropyl ester + (R)-6-methoxy-α-methyl-2-naphthaleneacetic acid isopropyl ester

Guidance literature:

With whole cells of Trichosporon sp; In phosphate buffer; at 30 ℃; for 96h; pH=8.0;

DOI:10.1016/S0957-4166(03)00492-0

upstream raw materials:

naproxen

isopropyl alcohol

Downstream raw materials:

(2S)-2-(6-methoxy(2-naphthyl))propanoic acid

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