2-Naphthaleneacetic acid, 1-methylethyl ester

Base Information

• Chemical Name: 2-Naphthaleneacetic acid, 1-methylethyl ester
• CAS No.: 91759-48-7
• Molecular Formula: C15H16O2
• Molecular Weight: 228.291
• DSSTox Substance ID: DTXSID20603734
• Wikidata: Q82501233
• Mol file: 91759-48-7.mol

Synonyms:2-Naphthaleneacetic acid, 1-methylethyl ester;91759-48-7;propan-2-yl 2-naphthalen-2-ylacetate;SCHEMBL10797066;DTXSID20603734;AKOS009098832;Propan-2-yl (naphthalen-2-yl)acetate

Chemical Property of 2-Naphthaleneacetic acid, 1-methylethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 3.33390
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 228.115029749
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)CC1=CC2=CC=CC=C2C=C1

Technology Process of 2-Naphthaleneacetic acid, 1-methylethyl ester

There total 2 articles about 2-Naphthaleneacetic acid, 1-methylethyl ester 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: 21.0%

isopropyl alcohol (67-63-0,8013-70-5) + 2-naphthylacetic acid (581-96-4) → naphthalen-2-ethanol (1485-07-0) + isopropyl 2-naphthylacetate (91759-48-7)

Guidance literature:

2-naphthylacetic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 0.5h;

isopropyl alcohol; With sodium tetrahydroborate; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1055/s-0030-1259988

Reference yield:

di-isopropyl ether (108-20-3) + carbon monoxide (201230-82-2) + 2-bromomethylnaphthyl bromide (939-26-4) → isopropyl 2-naphthylacetate (91759-48-7) + isopropyl bromide (75-26-3)

Guidance literature:

1,5-hexadienerhodium(I)-chloride dimer; overnight or in n-heptane;

DOI:10.1016/S0040-4039(00)98913-5

upstream raw materials:

di-isopropyl ether

carbon monoxide

2-bromomethylnaphthyl bromide

isopropyl alcohol

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