Dimethyl 3,5-dimethylphthalate

Base Information

• Chemical Name: Dimethyl 3,5-dimethylphthalate
• CAS No.: 50919-64-7
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID201334286
• Nikkaji Number: J406.015F
• Mol file: 50919-64-7.mol

Synonyms:dimethyl 3,5-dimethylphthalate;50919-64-7;SCHEMBL12554705;DTXSID201334286

Chemical Property of Dimethyl 3,5-dimethylphthalate

Chemical Property:

• PSA: 52.60000
• LogP: 1.87660
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 3,5-dimethylphthalate

There total 10 articles about Dimethyl 3,5-dimethylphthalate 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: 93.0%

propionaldehyde (123-38-6) + dimethyl acetylenedicarboxylate (762-42-5) → dimethyl 3,5-dimethylphthalate (50919-64-7)

Guidance literature:

With acetamide; toluene-4-sulfonic acid; for 0.166667h; microwave irradiation;

DOI:10.1080/00397910500522082

Reference yield: 90.0%

dimethyl 1',8'-dimethyl-2'-oxospiro(oxirane-2,3'-bicyclo<2,2,2>octa<5,7>diene)-5',6'-dicarboxylate (73245-21-3) → dimethyl 3,5-dimethylphthalate (50919-64-7) + ethyl glycidate (4660-80-4)

Guidance literature:

In ethanol; chloroform; at 12 - 20 ℃; for 1h;

DOI:10.1021/jo01299a030

Reference yield: 39.0%

(1R,2R,6S,7R)-7,10-Dimethyl-8-oxa-4-aza-tricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione (109277-67-0) + dimethyl acetylenedicarboxylate (762-42-5) → dimethyl 3,5-dimethylphthalate (50919-64-7) + 1,14-Dimethyl-4,10-diazatetracyclo<5.5.2.02,6.08,12>tetradec-13-ene-3,5,9,11-tetraone (61942-34-5,121155-95-1)

Guidance literature:

In acetonitrile; for 10h; Heating;

upstream raw materials:

methyl diazoacetate

m-xylene

4,6-Dimethyl-2-pyron

dimethyl cis-but-2-ene-1,4-dioate