Dimethyl 5-methoxyisophthalate

Base Information

• Chemical Name: Dimethyl 5-methoxyisophthalate
• CAS No.: 20319-44-2
• Molecular Formula: C11H12O5
• Molecular Weight: 224.213
• Hs Code.: 2918990090
• European Community (EC) Number: 626-901-4
• DSSTox Substance ID: DTXSID60400183
• Wikidata: Q72470857
• Mol file: 20319-44-2.mol

Synonyms:Dimethyl 5-methoxyisophthalate;20319-44-2;5-Methoxy-isophthalic acid dimethyl ester;Dimethyl 5-methoxybenzene-1,3-dicarboxylate;dimethyl-5-methoxyisophthalate;MFCD00272337;5-Methoxyisophthalic acid dimethyl ester;1,3-Benzenedicarboxylic acid, 5-methoxy-, dimethyl ester;SCHEMBL475746;dimethyl-5-methoxy-isophthalate;AMY7180;DTXSID60400183;1,3-Benzenedicarboxylic acid, 5-methoxy-, 1,3-dimethyl ester;Dimethyl 5-methoxyisophthalate, 97%;AKOS015894362;AS-31163;SY026137;3-(4-fluorophenyl)-5-pyridinecarboxylicacid;CS-0196966;FT-0768357;1,3-dimethyl 5-methoxybenzene-1,3-dicarboxylate;A879717;J-013213;1,3-Benzenedicarboxylic acid, 5-methoxy, dimethyl ester

Chemical Property of Dimethyl 5-methoxyisophthalate

Chemical Property:

• Vapor Pressure: 0.000263mmHg at 25°C
• Melting Point: 108-112 °C
• Refractive Index: 1.508
• Boiling Point: 323.4 °C at 760 mmHg
• Flash Point: 141.7 °C
• PSA: 61.83000
• Density: 1.184 g/cm³
• LogP: 1.26840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 224.06847348
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

98%min ^*data from raw suppliers

Dimethyl 5-methoxyisophthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)C(=O)OC)C(=O)OC
• Uses: Dimethyl 5-methoxyisophthalate may be used as a reactant in the synthesis of 5-methoxy isophthalic acid.

Technology Process of Dimethyl 5-methoxyisophthalate

There total 13 articles about Dimethyl 5-methoxyisophthalate 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%

Dimethyl 5-hydroxyisophthalate (13036-02-7) + methyl iodide (74-88-4) → dimethyl 5-methoxyisophthalate (20319-44-2)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

Reference yield: 94.0%

5-Hydroxyisophthalic acid (618-83-7) + dimethyl sulfate (77-78-1) → dimethyl 5-methoxyisophthalate (20319-44-2)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

DOI:10.1021/ma302300g

Reference yield: 93.0%

5-Hydroxyisophthalic acid (618-83-7) + methyl iodide (74-88-4) → dimethyl 5-methoxyisophthalate (20319-44-2)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1016/j.bmcl.2006.11.053

upstream raw materials:

diazomethane

5-methoxyisophthalic acid

methanol

4-methoxy-1,3-benzenedicarbonyl dichloride

Downstream raw materials:

5-methoxy-isophthalic acid monomethyl ester

5-methoxybenzenebis(methane-α,α-d2)-ol

5-methoxy-benzene-1,3-dicarbaldehyde

5-methoxy isophthaloyl hydrazide

Refernces

• 1、 McCormick, Laura J.,Morris, Samuel A.,Teat, Simon J.,McPherson, Matthew J.,Slawin, Alexandra M. Z.,Morris, Russell E.. "Coordination polymers of ZnII and 5-methoxy isophthalate". . p. 17686 - 17695. Retrieved 2015.
• 2、 Wang, Zhaoxu,Luo, Xin,Zheng, Baishu,Huang, Lu,Hang, Cheng,Jiao, Yinchun,Cao, Xiyang,Zeng, Wenjiang,Yun, Ruirui. "Highly Selective Carbon Dioxide Capture and Cooperative Catalysis of a Water-Stable Acylamide-Functionalized Metal–Organic Framework". . p. 1309 - 1314. Retrieved 2018/04/02.
• 3、 Garai, Bikash,Mallick, Arijit,Das, Anuja,Mukherjee, Rabibrata,Banerjee, Rahul. "Self-Exfoliated Metal-Organic Nanosheets through Hydrolytic Unfolding of Metal-Organic Polyhedra". supporting information. p. 7361 - 7366. Retrieved 2017/05/31.