Ethyl 2-(3-hydroxyphenyl)acetate

Base Information

• Chemical Name: Ethyl 2-(3-hydroxyphenyl)acetate
• CAS No.: 22446-38-4
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918290000
• European Community (EC) Number: 834-774-3
• DSSTox Substance ID: DTXSID20341346
• Nikkaji Number: J101.860D
• Wikidata: Q82111452
• Mol file: 22446-38-4.mol

Synonyms:ethyl 2-(3-hydroxyphenyl)acetate;22446-38-4;ETHYL 3-HYDROXYPHENYLACETATE;Ethyl (3-hydroxyphenyl)acetate;Benzeneacetic acid, 3-hydroxy-, ethyl ester;3-Hydroxyphenylacetic acid ethyl ester;Acetic acid, (m-hydroxyphenyl)-, ethyl ester;(3-Hydroxyphenyl)acetic Acid Ethyl Ester;3-Hydroxy-benzeneacetic Acid Ethyl Ester;Benzeneaceticacid, 3-hydroxy-, ethyl ester;ethyl 3-hydoxyphenylacetate;ethyl(3-hydroxyphenyl)acetate;SCHEMBL905142;ethyl2-(3-hydroxyphenyl)acetate;DTXSID20341346;Ethyl (3-hydroxyphenyl)acetate #;MFCD07369387;AKOS010659218;DS-8512;Benzeneaceticacid,3-hydroxy-,ethyl ester;(3-hydroxyphenyl)-acetic acid ethyl ester;(3-Hydroxy phenyl)-acetic acid ethyl ester;(3-hydroxy-phenyl)-acetic acid ethyl ester;CS-0030409;E1242;FT-0668293;A910171

Chemical Property of Ethyl 2-(3-hydroxyphenyl)acetate

Chemical Property:

• Vapor Pressure: 0.00104mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 292.5 °C at 760 mmHg
• PKA: 9.75±0.10(Predicted)
• Flash Point: 123.6 °C
• PSA: 46.53000
• Density: 1.146 g/cm³
• LogP: 1.49780
• Storage Temp.: Refrigerator
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl (3-Hydroxyphenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC(=CC=C1)O
• Uses: Ethyl 3-hydroxyphenylacetate is a useful synthetic intermediate for the preparation of novel antiinflammatory agents.

Technology Process of Ethyl 2-(3-hydroxyphenyl)acetate

There total 6 articles about Ethyl 2-(3-hydroxyphenyl)acetate 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%

ethanol (64-17-5) + m-hydroxyphenylacetic acid (621-37-4) → ethyl 3-hydroxyphenylacetate (22446-38-4)

Guidance literature:

thionyl chloride; at 20 ℃; for 6h;

Reference yield: 97.0%

sulfuric acid (7664-93-9) + m-hydroxyphenylacetic acid (621-37-4) → ethyl 3-hydroxyphenylacetate (22446-38-4)

Guidance literature:

In ethanol; water;

Reference yield: 96.0%

→ ethyl 3-hydroxyphenylacetate (22446-38-4)

Guidance literature:

upstream raw materials:

ethanol

m-hydroxyphenylacetic acid

toluene-4-sulfonic acid

sulfuric acid

Downstream raw materials:

[3-(3-methylbut-2-enyloxy)phenyl]acetic acid ethyl ester

[3-(4-fluoro-benzyloxy)-phenyl]-acetic acid ethyl ester

(E)-{3-[3-(4'-Bromo-biphenyl-4-yl)-but-2-enyloxy]-phenyl}-acetic acid ethyl ester

ethyl 3-cyclohexylmethyloxy-phenylacetate

Refernces

• 1、 Kim, Changhoon,Ann, Jihyae,Lee, Sunho,Sun, Wei,Blumberg, Peter M.,Frank-Foltyn, Robert,Bahrenberg, Gregor,Stockhausen, Hannelore,Christoph, Thomas,Lee, Jeewoo. "Discovery of 2-(3,5-difluoro-4-methylsulfonaminophenyl)propanamides as potent TRPV1 antagonists". . p. 2539 - 2542. Retrieved 2018/06/07.
• 2、 Miyakoshi, Hitoshi,Miyahara, Seiji,Yokogawa, Tatsushi,Endoh, Kanji,Muto, Toshiharu,Yano, Wakako,Wakasa, Takeshi,Ueno, Hiroyuki,Chong, Khoon Tee,Taguchi, Junko,Nomura, Makoto,Takao, Yayoi,Fujioka, Akio,Hashimoto, Akihiro,Itou, Kenjirou,Yamamura, Keisuke,Shuto, Satoshi,Nagasawa, Hideko,Fukuoka, Masayoshi. "1,2,3-Triazole-containing uracil derivatives with excellent pharmacokinetics as a novel class of potent human deoxyuridine triphosphatase inhibitors". supporting information; experimental part. p. 6427 - 6437. Retrieved 2012/09/22.