Diisobutyl 1,2,3,6-tetrahydrophthalate

Base Information

• Chemical Name: Diisobutyl 1,2,3,6-tetrahydrophthalate
• CAS No.: 81667-22-3
• Molecular Formula: C16H26O4
• Molecular Weight: 282.38
• DSSTox Substance ID: DTXSID20424108
• Nikkaji Number: J559.840K
• Mol file: 81667-22-3.mol

Synonyms:diisobutyl 1,2,3,6-tetrahydrophthalate;81667-22-3;SCHEMBL1169319;DTXSID20424108;RITNWOCATMPHEE-UHFFFAOYSA-N;4-Cyclohexene-1,2-dicarboxylic acid, di-(2-methylpropyl) ester;1,2,3,6-Tetrahydrophthalic acid diisobutyl ester

Chemical Property of Diisobutyl 1,2,3,6-tetrahydrophthalate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 282.18310931
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(=O)C1CC=CCC1C(=O)OCC(C)C

Technology Process of Diisobutyl 1,2,3,6-tetrahydrophthalate

There total 5 articles about Diisobutyl 1,2,3,6-tetrahydrophthalate 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:

2-methyl-propan-1-ol (78-83-1) + 1,2,3,6-Tetrahydrophthalic anhydride (85-43-8) → diisobutyl 4-cyclohexene-1,2-dicarboxylate (81667-22-3)

Guidance literature:

tin hydroxide; In xylene; at 220 ℃; for 21h; under 75.0075 Torr; Product distribution / selectivity; Dean-Stark trap;

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + 2-methyl-propan-1-ol (78-83-1) + 1,2,3,6-Tetrahydrophthalic anhydride (85-43-8) → (isobutyl)(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate + di(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate (2915-49-3) + diisobutyl 4-cyclohexene-1,2-dicarboxylate (81667-22-3)

Guidance literature:

2-methyl-propan-1-ol; 1,2,3,6-Tetrahydrophthalic anhydride; at 130 ℃; for 1h;

2-Ethylhexyl alcohol; tin hydroxide; at 220 ℃; for 7h; under 150.015 Torr; Product distribution / selectivity; Dean-Stark trap;

Reference yield:

isononanol (3452-97-9,140237-84-9,140237-85-0) + 2-methyl-propan-1-ol (78-83-1) + 1,2,3,6-Tetrahydrophthalic anhydride (85-43-8) → (isobutyl)(3,5,5-trimethylhexyl) 4-cyclohexene-1,2-dicarboxylate + diisobutyl 4-cyclohexene-1,2-dicarboxylate (81667-22-3) + cyclohex-4-ene-1,2-dicarboxylic acid bis-(3,5,5-trimethyl-hexyl ester)

Guidance literature:

2-methyl-propan-1-ol; 1,2,3,6-Tetrahydrophthalic anhydride; at 130 ℃; for 1h;

isononanol; 2-methyl-propan-1-ol; tin hydroxide; at 220 ℃; for 7h; under 150.015 Torr; Product distribution / selectivity; Dean-Stark trap;

upstream raw materials:

2-Ethylhexyl alcohol

2-methyl-propan-1-ol

1,2,3,6-Tetrahydrophthalic anhydride

7-methyl-1-octanol

Refernces