Hexahydroterephthaloyl chloride

Base Information

• Chemical Name: Hexahydroterephthaloyl chloride
• CAS No.: 13170-66-6
• Molecular Formula: C₈H₁₀Cl₂O₂
• Molecular Weight: 209.072
• Hs Code.: 2917209090
• European Community (EC) Number: 818-233-9
• DSSTox Substance ID: DTXSID001291864
• Nikkaji Number: J385.412D,J42.344K,J3.482.799K
• Mol file: 13170-66-6.mol

Synonyms:13170-66-6;Cyclohexane-1,4-dicarbonyl dichloride;1,4-Cyclohexanedicarbonyl dichloride;19988-54-6;CYCLOHEXYL-1,4-DICARBOXYLCHLORIDE;14571-47-2;cyclohexane-1,4-dicarbonyl chloride;1,4-Cyclohexanedicarbonyl dichloride, trans- (8CI,9CI);1,4-Cyclohexanedicarbonyl dichloride, cis- (9CI);1,4-Cyclohexanedicarbonyl dichloride, trans-;Hexahydroterephthaloyl chloride;1,4-Cyclohexanedicarbonyldichloride;SCHEMBL890380;SCHEMBL1060400;SCHEMBL1506461;SCHEMBL19012131;DTXSID001291864;AKOS015914691

Chemical Property of Hexahydroterephthaloyl chloride

Chemical Property:

• Boiling Point: 97-97.5 °C(Press: 0.5 Torr)
• PSA: 34.14000
• Density: 1.2845 g/cm3
• LogP: 2.32360
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.0057849
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

99.9% ^*data from raw suppliers

Cyclohexane-1,4-dicarbonyldichloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C(=O)Cl)C(=O)Cl

Technology Process of Hexahydroterephthaloyl chloride

There total 6 articles about Hexahydroterephthaloyl chloride 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: 97.2%

cyclohexane-1,4-dicarboxylic acid (619-81-8,619-82-9,1076-97-7) → trans-1,4-cyclohexanedicarboxylic acid chloride (13170-66-6,14571-47-2,19988-54-6)

Guidance literature:

With thionyl chloride; at 33 - 60 ℃; for 6h; under 20 Torr; Temperature; Time;

Reference yield: 96.0%

trans-hexahydroterephthalic acid (619-82-9) → trans-1,4-cyclohexanedicarboxylic acid dichloride (13170-66-6,14571-47-2,19988-54-6)

Guidance literature:

With thionyl chloride; N-benzyl-N,N,N-triethylammonium chloride; In 1,2-dichloro-ethane; for 0.5h; Heating;

DOI:10.1055/s-1991-26487

Reference yield:

1,4-cyclohexanedicarboxylic acid monochloride → trans-1,4-cyclohexanedicarboxylic acid chloride (13170-66-6,14571-47-2,19988-54-6)

Guidance literature:

With thionyl chloride; In neat (no solvent); at 140 ℃; under 2 Torr;

upstream raw materials:

cyclohexane-1,4-dicarboxylic acid

dimethyl 1,4-cyclohexane dicarboxylate

trans-hexahydroterephthalic acid

(1s,4s)-cyclohexane-1,4-dicarbonyl dichloride

Downstream raw materials:

1,4-dicarbonyl-cyclohexane

N,N'-Bis-(2-chloroethyl)-trans-1,4-cyclohexandicarboxamid

Refernces

• 1、 Burdett. "An improved acid chloride preparation via phase transfer catalysis". . p. 441 - 442. Retrieved 1991.
• 2、 -. "As a polymer skeleton [...][...] compound and method of manufacturing same". Paragraph 0064. . Retrieved 2018/05/15.
• 3、 -. "METHOD FOR PRODUCING ACID HALIDE SOLUTION, MIXED SOLUTION, AND METHOD FOR PRODUCING MONOESTER COMPOUND". Paragraph 0137-0144; 0155-0156; 0159-0161; 0170. . Retrieved 2019/01/04.