4-Isopropoxy-3-methoxybenzoic acid

Base Information

• Chemical Name: 4-Isopropoxy-3-methoxybenzoic acid
• CAS No.: 3535-33-9
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Hs Code.: 2918990090
• European Community (EC) Number: 673-236-0
• DSSTox Substance ID: DTXSID80366378
• Wikidata: Q82151562
• Mol file: 3535-33-9.mol

Synonyms:4-isopropoxy-3-methoxybenzoic acid;3535-33-9;4-Isopropoxy-3-methoxy-benzoic acid;3-methoxy-4-propan-2-yloxybenzoic acid;3-methoxy-4-(propan-2-yloxy)benzoic acid;Benzoic acid, 3-methoxy-4-(1-methylethoxy)-;4-Isopropoxy-3-methoxybenzoicacid;Enamine_004200;3-Methoxy-4-(1-methylethoxy)-benzoic acid;SCHEMBL1015345;DTXSID80366378;JIDRJYBQEIPGRF-UHFFFAOYSA-N;HMS1405O20;BBL014145;MFCD01993664;STK347174;4-iso-propoxy-3-methoxy-benzoic acid;AKOS000116663;FS-5338;CS-0196003;FT-0679457;EN300-04043;E89619;A874625;SR-01000036219;4-[(1-methylethyl)oxy]-3-(methyloxy)benzoic acid;SR-01000036219-1;Z56858203;(2-PHENYLCARBAMOYL-PHENYL)-PHOSPHONICACIDDIETHYLESTER

Chemical Property of 4-Isopropoxy-3-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Boiling Point: 323.3 ºC at 760 mmHg
• Flash Point: 122.2 ºC
• PSA: 55.76000
• Density: 1.146 g/cm³
• LogP: 2.18060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropoxy-3-methoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)C(=O)O)OC
• Uses: 4-Isopropoxy-3-methoxybenzoic acid

Technology Process of 4-Isopropoxy-3-methoxybenzoic acid

There total 8 articles about 4-Isopropoxy-3-methoxybenzoic acid 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%

methyl 4-isopropoxy-3-methoxybenzoate (3535-27-1) → 4-isopropyloxy-3-methoxybenzoic acid (3535-33-9)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 60 ℃; for 2h;

DOI:10.1021/acsmedchemlett.7b00429

Reference yield: 86.0%

4-isopropoxy-3-methoxybenzoic acid isopropyl ester → 4-isopropyloxy-3-methoxybenzoic acid (3535-33-9)

Guidance literature:

4-isopropoxy-3-methoxybenzoic acid isopropyl ester; With potassium hydroxide; In ethanol; water; for 4h; Reflux;

With hydrogenchloride; In water; pH=3;

DOI:10.1016/j.bmc.2011.06.056

Reference yield: 85.0%

carbon dioxide (124-38-9,18923-20-1) + 4-bromo-1-isopropoxy-2-methoxy-benzene (138505-27-8) → 4-isopropyloxy-3-methoxybenzoic acid (3535-33-9)

Guidance literature:

4-bromo-1-isopropoxy-2-methoxy-benzene; With tert.-butyl lithium; In tetrahydrofuran; toluene; at -78 ℃; for 1h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at -78 - 20 ℃; for 0.5h; Inert atmosphere;

upstream raw materials:

4-isopropyloxy-3-methoxybenzaldehyde

3-methoxy-4-hydroxybenzoic acid

carbon dioxide

4-bromo-1-isopropoxy-2-methoxy-benzene

Downstream raw materials:

4-isopropoxy-N-[4-isopropoxy-5-methoxy-2-((2-methoxyethoxy)methoxy)benzyl]-3-methoxybenzamide

(4-isopropoxy-3-methoxybenzoyl)[4-isopropoxy-5-methoxy-2-((2-methoxyethoxy)methoxy)benzyl]carbamic acid tert-butyl ester

tert-butyl (1,2-bis(4-isopropoxy-3-methoxyphenyl)-2-oxoethyl)carbamate

2-amino-1,2-bis(4-isopropoxy-3-methoxyphenyl)ethanone trifluoroacetate

Refernces

• 1、 Reed, Carson W.,McGowan, Kevin M.,Spearing, Paul K.,Stansley, Branden J.,Roenfanz, Hanna F.,Engers, Darren W.,Rodriguez, Alice L.,Engelberg, Eileen M.,Luscombe, Vincent B.,Loch, Matthew T.,Remke, Daniel H.,Rook, Jerri M.,Blobaum, Anna L.,Conn, P. Jeffrey,Niswender, Colleen M.,Lindsley, Craig W.. "VU6010608, a Novel mGlu7 NAM from a Series of N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)benzamides". supporting information. p. 1326 - 1330. Retrieved 2017/12/26.
• 2、 -. "SOLID FORMS OF (4-ISOPROPOXY-3-METHOXYPHENYL)(2'-METHYL-6'-(TRIFLUOROMETHYL)-3',4'-DIHYDRO-2'H-SPIRO[PIPERIDINE-4,1'-PYRROLO[1,2-A]PYRAZINE]-1-YL)METHANONE". Paragraph 00188-00190. . Retrieved 2014/02/16.