Ethyl 1-naphthoate

Base Information

• Chemical Name: Ethyl 1-naphthoate
• CAS No.: 3007-97-4
• Molecular Formula: C13H12 O2
• Molecular Weight: 200.237
• Hs Code.: 38220090
• European Community (EC) Number: 221-120-1
• NSC Number: 409986
• DSSTox Substance ID: DTXSID70184144
• Nikkaji Number: J99.603C
• Wikidata: Q83055021
• Mol file: 3007-97-4.mol

Synonyms:Ethyl 1-naphthoate;3007-97-4;Ethyl alpha-naphthoate;ethyl naphthalene-1-carboxylate;1-Naphthoic acid, ethyl ester;1-Naphthalenecarboxylic acid, ethyl ester;naphthalene-1-carboxylic acid ethyl ester;1-Naphthoic acid ethyl ester;EINECS 221-120-1;AI3-06324;MFCD00016805;Ethyl1-naphthoate;Ethyl alpha-napthoate;Ethyl .alpha.-naphthoate;SCHEMBL277672;DTXSID70184144;NSC409986;AKOS007930361;NSC 409986;NSC-409986;AS-57078;CS-0318175;FT-0625749;2-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL]BENZENECARBOXYLICACID

Chemical Property of Ethyl 1-naphthoate

Chemical Property:

• Vapor Pressure: 0.000617mmHg at 25°C
• Refractive Index: 1.5930
• Boiling Point: 310°Cat760mmHg
• Flash Point: 148.7°C
• PSA: 26.30000
• Density: 1.125g/cm³
• LogP: 3.01650
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

ETHYL 1-NAPHTHOATE ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC2=CC=CC=C21

Technology Process of Ethyl 1-naphthoate

There total 39 articles about Ethyl 1-naphthoate 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: 100.0%

1-naphthalenecarboxylic acid (86-55-5) + ethyl iodide (75-03-6) → ethyl 1-naphthoate (3007-97-4)

Guidance literature:

With caesium carbonate; In acetonitrile; for 1.5h; Heating;

DOI:10.1080/00304949609356558

Reference yield: 99.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + 1-Iodonaphthalene (90-14-2) → ethyl 1-naphthoate (3007-97-4)

Guidance literature:

With triethylamine; dichloro bis(acetonitrile) palladium(II); at 70 ℃; for 24h;

DOI:10.1016/j.tet.2008.07.053

Reference yield: 98.0%

ethanol (64-17-5) + 1-naphthaldehyde (66-77-3) → ethyl 1-naphthoate (3007-97-4)

Guidance literature:

With dihydrogen peroxide; at 20 ℃; for 20h;

DOI:10.1016/j.catcom.2014.09.022

upstream raw materials:

ethanol

1-naphthalenecarboxylic acid

chloroformic acid ethyl ester

1-naphthylmagnesiumbromide

Downstream raw materials:

1,2-di-[1]naphthyl-1,2-diphenyl-ethane-1,2-diol

1-Cyanonaphthalene

1'-naphthacetophenone

ethyl 2-(1-naphthyl)acetate

Refernces

• 1、 Zhao, Yu Qiang,Zhou, Jie,He, Renze,Wang, Guang Ke,Miao, Lan Xi,Xie, Xiao Guang,Zhou, Ying. "New gold (I) complexes with 5-aromatic ring-1, 3, 4-oxadiazole-2-thione and triphenylphosphine as potential multifunctional materials". supporting information. . Retrieved 2020/12/02.
• 2、 Zhang, Yong,Xiong, Yu,Ge, Jin,Lin, Rui,Chen, Chen,Peng, Qing,Wang, Dingsheng,Li, Yadong. "Porous organic cage stabilised palladium nanoparticles: Efficient heterogeneous catalysts for carbonylation reaction of aryl halides". supporting information. p. 2796 - 2799. Retrieved 2018/03/21.