Dimethyl 2,5-dichloroterephthalate

Base Information

• Chemical Name: Dimethyl 2,5-dichloroterephthalate
• CAS No.: 3293-89-8
• Molecular Formula: C10H8 Cl2 O4
• Molecular Weight: 263.077
• Hs Code.: 2917399090
• European Community (EC) Number: 221-958-8
• NSC Number: 525127
• UNII: R29673M83F
• DSSTox Substance ID: DTXSID10186581
• Nikkaji Number: J80.682J
• Wikidata: Q83057916
• Mol file: 3293-89-8.mol

Synonyms:Dimethyl 2,5-dichloroterephthalate;3293-89-8;dimethyl 2,5-dichlorobenzene-1,4-dicarboxylate;C10H8Cl2O4;EINECS 221-958-8;NSC-525127;R29673M83F;1,4-DIMETHYL 2,5-DICHLOROBENZENE-1,4-DICARBOXYLATE;SCHEMBL70011;CBDivE_013539;IFLab1_000211;UNII-R29673M83F;Dimethyl2,5-dichloroterephthalate;DTXSID10186581;HMS1412J13;NSC525127;AKOS001593410;NSC 525127;IDI1_008430;WS-02407;2,5-Dichloroterephthalic acid dimethyl ester;CS-0318090;E10192;SR-01000393255;SR-01000393255-1;1,4-Dimethyl 2,5-dichloro-1,4-benzenedicarboxylate;F0020-1790;F0024-0038;1,4-Benzenedicarboxylic acid, 2,5-dichloro-, dimethyl ester;1,4-Benzenedicarboxylic acid, 2,5-dichloro-, 1,4-dimethyl ester

Chemical Property of Dimethyl 2,5-dichloroterephthalate

Chemical Property:

• Vapor Pressure: 3.61E-05mmHg at 25°C
• Boiling Point: 353.3°Cat760mmHg
• Flash Point: 148.4°C
• PSA: 52.60000
• Density: 1.391g/cm³
• LogP: 2.56660
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 261.9799641
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl2,5-dichloroterephthalate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1Cl)C(=O)OC)Cl
• Uses: Dimethyl 2,5-dichloroterephthalate is used to prepare radiolabeled retinoid X receptor (RXR) specific ligands

Technology Process of Dimethyl 2,5-dichloroterephthalate

There total 8 articles about Dimethyl 2,5-dichloroterephthalate 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: 62.8%

methanol (67-56-1) + 2,5-dichloroterephthaloyl dichloride (13234-55-4) → dimethyl 2,5-dichloro-terephthalate (3293-89-8)

Guidance literature:

With calcium hydroxide;

Reference yield: 34.0%

2-amino-5-chloro-terephthalic acid dimethyl ester (32888-87-2) → dimethyl 2,5-dichloro-terephthalate (3293-89-8)

Guidance literature:

2-amino-5-chloro-terephthalic acid dimethyl ester; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 1h;

With copper(l) chloride; In water; at 0 - 20 ℃; for 3h;

DOI:10.1039/c7ce00971b

Reference yield:

2,5-dichloroterephthalic acid (13799-90-1) → dimethyl 2,5-dichloro-terephthalate (3293-89-8)

Guidance literature:

With thionyl chloride; In methanol; chloroform;

upstream raw materials:

methanol

2,5-dichloroterephthalic acid

2,5-dichloroterephthaloyl dichloride

terephthaloyl chloride

Downstream raw materials:

2,5-dichloro-terephthalic acid monomethyl ester

2,5-dichloroterephthalic acid

2,5-dichloro-4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-yl)-[1,3]dioxolan-2-yl]-benzoic acid methyl ester

2,5-dichloro-4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-yl)-[1,3]dioxolan-2-yl]-benzoic acid

Refernces

• 1、 Shcherbina, F. F.,Ral'chuk, I. A.,Yazlovitskii, A. V.,Rudenko, S. D.,Khrinyuk, N. M.,Grigor'ev, A. A.. "LIQUID-PHASE OXIDATION OF 2,5-DICHLORO-p-XYLENE". . p. 445 - 448. Retrieved 2007/10/02.
• 2、 Hynes. "Hydroxylamine derivatives as potential antimalarial agents. 1. Hydroxamic acids.". . p. 1235 - 1237. Retrieved 2007/10/04.