Dimethyl 2-bromoterephthalate

Base Information

• Chemical Name: Dimethyl 2-bromoterephthalate
• CAS No.: 18643-86-2
• Molecular Formula: C10H9BrO4
• Molecular Weight: 273.083
• Hs Code.: 2917399090
• European Community (EC) Number: 242-476-4
• DSSTox Substance ID: DTXSID40171905
• Nikkaji Number: J222.262K
• Wikidata: Q72469572
• Mol file: 18643-86-2.mol

Synonyms:Dimethyl 2-bromoterephthalate;18643-86-2;Dimethyl bromoterephthalate;dimethyl 2-bromobenzene-1,4-dicarboxylate;1,4-dimethyl 2-bromobenzene-1,4-dicarboxylate;1,4-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester;MFCD00060638;bromoterephthalic acid dimethyl ester;EINECS 242-476-4;Dimethyl 2-bromotertphthalate;o-bromoterephthalic acid dimethyl ester;dimethyl-2-bromoterepthalate;DiMethyl2-bromoterephthalate;SCHEMBL70233;dimethyl-2-bromo-terepthalate;dimethyl 2-bromo-terephthalate;dimethyl-2-bromo-terephthalate;2-Bromoterephthalic acid=dimethyl;DTXSID40171905;AKOS015834899;AM82924;2-bromo-terephthalic acid dimethyl ester;AC-31689;AS-15274;SY007982;CS-0137245;D5003;FT-0637731;A813038;2-bromo-1,4-benzenedicarboxylic acid, dimethyl ester

Chemical Property of Dimethyl 2-bromoterephthalate

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.0301mmHg at 25°C
• Melting Point: 52 °C
• Refractive Index: 1.481
• Boiling Point: 323.746 °C at 760 mmHg
• Flash Point: 149.597 °C
• PSA: 52.60000
• Density: 1.505 g/cm³
• LogP: 2.02230
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 271.96842
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-dimethyl2-bromobenzene-1,4-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br

Technology Process of Dimethyl 2-bromoterephthalate

There total 14 articles about Dimethyl 2-bromoterephthalate 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: 98.0%

2-bromo-1,4-benzenedicarboxylic acid,1-methyl ester (264272-63-1) → dimethyl 2-bromoterephthalate (18643-86-2)

Guidance literature:

With thionyl chloride; In methanol; for 5h; Reflux;

Reference yield: 98.0%

methanol (67-56-1) + 2-bromo-1,4-benzenedicarboxylic acid (586-35-6) → dimethyl 2-bromoterephthalate (18643-86-2)

Guidance literature:

With sulfuric acid; for 5h; Reflux;

Reference yield: 86.0%

2-bromo-1,4-benzenedicarboxylic acid (586-35-6) + trimethyl orthoformate (149-73-5) → dimethyl 2-bromoterephthalate (18643-86-2)

Guidance literature:

With sulfuric acid; In methanol; for 12h; Reflux;

DOI:10.1021/acs.jmedchem.8b01200

upstream raw materials:

methanol

2-bromo-1,4-benzenedicarboxylic acid

2-bromobenzene-1,4-dicarbonyl dichloride

1,4-benzenedicarboxylic acid dimethyl ester

Downstream raw materials:

2-(2-Methoxy-phenoxy)-terephthalic acid dimethyl ester

(2-bromo-1,4-phenylene) dimethyl carbinol

1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde

(E)-4-(3-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)acryloyl)benzoic acid

Refernces

• 1、 -. "SUBSTITUTED TRICYCLIC COMPOUNDS". Page/Page column 171; 172. . Retrieved 2021/07/02.
• 2、 Liu, Hao,Ando, Naoki,Yamaguchi, Shigehiro,Naumov, Pan?e,Zhang, Hongyu. "Excited-state conformation capture by supramolecular chains towards triplet-involved organic emitters". supporting information. p. 1669 - 1674. Retrieved 2021/03/08.