Dibutyl cyclohex-4-ene-1,2-dicarboxylate

Base Information

• Chemical Name: Dibutyl cyclohex-4-ene-1,2-dicarboxylate
• CAS No.: 37981-16-1
• Molecular Formula: C16H26 O4
• Molecular Weight: 282.38
• Hs Code.: 2917209090
• European Community (EC) Number: 253-738-2
• DSSTox Substance ID: DTXSID30958969
• Nikkaji Number: J160.553D
• Mol file: 37981-16-1.mol

Synonyms:Dibutyl cyclohex-4-ene-1,2-dicarboxylate;37981-16-1;EINECS 253-738-2;UNII-M3Q7S3AL0C;M3Q7S3AL0C;Dibutyl 4-cyclohexene-1,2-dicarboxylate;SCHEMBL1169314;DTXSID30958969;4-Cyclohexene-1,2-dicarboxylic acid dibutyl ester

Chemical Property of Dibutyl cyclohex-4-ene-1,2-dicarboxylate

Chemical Property:

• Vapor Pressure: 2.61E-05mmHg at 25°C
• Boiling Point: 358.1°Cat760mmHg
• Flash Point: 168.5°C
• PSA: 52.60000
• Density: 1.03g/cm³
• LogP: 3.25540
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 282.18310931
• Heavy Atom Count: 20
• Complexity: 303

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1CC=CCC1C(=O)OCCCC

Technology Process of Dibutyl cyclohex-4-ene-1,2-dicarboxylate

There total 3 articles about Dibutyl cyclohex-4-ene-1,2-dicarboxylate 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: 75.0%

1,2,3,6-Tetrahydrophthalic anhydride (85-43-8) + butan-1-ol (71-36-3) → dibutyl cyclohex-4-ene-1,2-dicarboxylate (37981-16-1)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; Heating;

DOI:10.1021/jo051580r

Reference yield:

cis-1,2,3,6-tetrahydrophthalic acid (2305-26-2) + butan-1-ol (71-36-3) → dibutyl cyclohex-4-ene-1,2-dicarboxylate (37981-16-1)

Guidance literature:

With sulfuric acid; Entfernen des entstehenden Wassers;

Reference yield:

→ dibutyl cyclohex-4-ene-1,2-dicarboxylate (37981-16-1)

Guidance literature:

Tetrahydro-phthalsaeureanhydrid, Butylalkohol, p-Toluolsulfonsaeure, 10 - 12h, 100 - 140grad;

upstream raw materials:

cis-1,2,3,6-tetrahydrophthalic acid

butan-1-ol

1,2,3,6-Tetrahydrophthalic anhydride

Downstream raw materials:

dibutyl 4-(phenylsulfonyl)cyclohex-4-ene-1,2-dicarboxylate