cis-1,3-Cyclohexanedicarboxylic Acid

Base Information

• Chemical Name: cis-1,3-Cyclohexanedicarboxylic Acid
• CAS No.: 2305-31-9
• Molecular Formula: C8H12 O4
• Molecular Weight: 172.181
• Hs Code.: 2917209090
• European Community (EC) Number: 678-355-1
• UNII: 8QXE081K9B
• Nikkaji Number: J36.771K
• Wikidata: Q27895979
• Mol file: 2305-31-9.mol

Synonyms:cis-1,3-Cyclohexanedicarboxylic Acid;2305-31-9;cis-Cyclohexane-1,3-dicarboxylic acid;(1R,3S)-cyclohexane-1,3-dicarboxylic acid;1,3-Cyclohexanedicarboxylic acid, (1R,3S)-rel-;1,3-Cyclohexanedicarboxylic acid, cis-;8QXE081K9B;(1S,3R)-cyclohexane-1,3-dicarboxylic acid;MFCD01311240;rel-(1R,3S)-Cyclohexane-1,3-dicarboxylic acid;UNII-8QXE081K9B;SCHEMBL2049696;XBZSBBLNHFMTEB-OLQVQODUSA-N;AC1031;AM9669;cis-Cyclohexane-1,3-dicarboxylicacid;AKOS016017528;1alpha,3alpha-Cyclohexanedicarboxylic acid;CS-12263;1,3-CIS-CYCLOHEXANEDICARBOXYLIC ACID;C2197;CS-0047351;EN300-125177;P18631;A878343;Q27895979;REL-(1R,3S)-1,3-CYCLOHEXANEDICARBOXYLIC ACID;Z1255446499

Chemical Property of cis-1,3-Cyclohexanedicarboxylic Acid

Chemical Property:

• Vapor Pressure: 2.83E-05mmHg at 25°C
• Melting Point: 165 °C
• Boiling Point: 332.4°Cat760mmHg
• Flash Point: 169°C
• PSA: 74.60000
• Density: 1.314g/cm³
• LogP: 0.96200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

cis-1,3-Cyclohexanedicarboxylic Acid >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC(C1)C(=O)O)C(=O)O
• Isomeric SMILES: C1C[C@H](C[C@H](C1)C(=O)O)C(=O)O

Technology Process of cis-1,3-Cyclohexanedicarboxylic Acid

There total 31 articles about cis-1,3-Cyclohexanedicarboxylic 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:

(S,S)-dibenzyl cyclohexyl 1,3-dicarboxylate (1610728-91-0) → trans-e,a-1,3-cyclohexanedicarboxylic acid (2305-30-8,2305-31-9,3971-31-1,21917-23-7,116724-13-1,116724-14-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 0.333333h;

Reference yield:

isophthalic acid (121-91-5) → cis-cyclohexane-1,3-dicarboxylic acid (2305-31-9) + trans rac-cyclohexyl 1,3-dicarboxylic acid (116724-13-1)

Guidance literature:

With 10% Rh/C; hydrogen; In isopropyl alcohol; at 60 ℃; for 24h; under 760.051 Torr; optical yield given as %de;

DOI:10.1002/chem.200900361

Reference yield:

isophthalic acid (121-91-5) → cis-cyclohexane-1,3-dicarboxylic acid (2305-31-9)

Guidance literature:

With platinum; Hydrogenation;

upstream raw materials:

isophthalic acid

dimethyl Isophthalate

diethyl isophthalate

((1R,3S)-cyclohexane-1,3-diyl)dimethanol

Downstream raw materials:

cis-1,3-cyclohexanediacetic acid

dimethyl cis-1,3-cyclohexanedicarboxylate

N-(5-((1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl)-1,3,4-thiadiazol-2-yl)-2-(pyridin-2-yl)acetamide

N-(5-((1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl)-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)acetamide