ACETIC ACID, 5-METHOXY-m-TOLYL-

Base Information

Chemical Name:ACETIC ACID, 5-METHOXY-m-TOLYL-
CAS No.:51028-96-7
Molecular Formula:C10H12O3
Molecular Weight:180.203
Hs Code.:2918990090
DSSTox Substance ID:DTXSID30199037
Nikkaji Number:J86.237A
Wikidata:Q83071924
ChEMBL ID:CHEMBL138979
Mol file:51028-96-7.mol

Synonyms:51028-96-7;ACETIC ACID, 5-METHOXY-m-TOLYL-;2-(3-methoxy-5-methylphenyl)acetic acid;5-Methoxy-m-tolylacetic acid;BRN 2092235;(3-METHOXY-5-METHYLPHENYL)ACETIC ACID;Benzeneacetic acid, 3-methoxy-5-methyl-;CHEMBL138979;SCHEMBL5742710;DTXSID30199037;PBXBJFPJMJLSKL-UHFFFAOYSA-N;3-methoxy-5-methylphenylacetic acid;3-Methoxy-5-methylbenzeneacetic acid;AKOS006279274;AB09720;(3-Methoxy-5-methyl-phenyl)-acetic acid;F85864

Suppliers and Price of ACETIC ACID, 5-METHOXY-m-TOLYL-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
(3-METHOXY-5-METHYLPHENYL)ACETIC ACID 95.00%
5MG
$ 503.66

Total 3 raw suppliers

Chemical Property of ACETIC ACID, 5-METHOXY-m-TOLYL-

Chemical Property:

Vapor Pressure:0.000105mmHg at 25°C
Boiling Point:323.8°C at 760 mmHg
Flash Point:128.4°C
PSA：46.53000
Density:1.146g/cm³
LogP:1.63070
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Heavy Atom Count:13
Complexity:179

Purity/Quality:

99% ^*data from raw suppliers

(3-METHOXY-5-METHYLPHENYL)ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=C1)OC)CC(=O)O

Technology Process of ACETIC ACID, 5-METHOXY-m-TOLYL-

There total 5 articles about ACETIC ACID, 5-METHOXY-m-TOLYL- 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: 99.0%

: 200214-25-1
2-(3-methoxy-5-methylphenyl)acetonitrile

: 51028-96-7
2-(3-methoxy-5-methylphenyl)acetic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 11h; Heating;
DOI:10.1071/CH99093

Reference yield: 84.0%

: 124-38-9,18923-20-1
carbon dioxide

: 874-63-5
3,5-dimethylmethoxybenzene

: 51028-96-7
2-(3-methoxy-5-methylphenyl)acetic acid

Guidance literature:: 3,5-dimethylmethoxybenzene; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; potassium tert-butylate; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; regioselective reaction; Inert atmosphere;
DOI:10.1021/ja110234v

Reference yield:

: 874-63-5
3,5-dimethylmethoxybenzene

: 51028-96-7
2-(3-methoxy-5-methylphenyl)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 67 percent / N-bromosuccinimide / azobisisobutyronitrile / CCl₄ / 1 h / Heating; irradiation

2: 91 percent / 1-methyl-pyrrolidin-2-one / 20 °C

3: 99 percent / aq. KOH / ethanol / 11 h / Heating

With potassium hydroxide; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In 1-methyl-pyrrolidin-2-one; tetrachloromethane; ethanol; 1: Bromination / 2: Substitution / 3: Hydrolysis;
DOI:10.1071/CH99093